3AP

3-AMINOPYRIDINE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where 3AP is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	6

2D diagram of 3AP

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Chemical Component Summary
Name	3-AMINOPYRIDINE
Systematic Name (OpenEye OEToolkits)	pyridin-1-ium-3-amine
Formula	C₅ H₇ N₂
Molecular Weight	95.122
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Nc1ccc[nH+]c1
SMILES	CACTVS	3.341	Nc1ccc[nH+]c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c[nH+]c1)N
Canonical SMILES	CACTVS	3.341	Nc1ccc[nH+]c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c[nH+]c1)N
InChI	InChI	1.03	InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1
InChIKey	InChI	1.03	CUYKNJBYIJFRCU-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	131852606, 444228, 101285206
CCDC/CSD	IRECEO, CICZEU, BIZXIS, AROYOW, KUZWIL, DAPHUA, KIHMEW, LOMKAA, COJWIJ, BAXZAC, MOYQUN, SIMGIF, DULGAT, IWEXEO, TEZXIG, GILPUP, AQATAO, MOYRIC, QUNRAU, PATMUT, MUCMUT, KABKIJ02, LULQIV, MOYRUO, MOYSEZ, OJUJUA, MOZFOY, GIMSIF, MOYQUN01, GIMSOL, LACVUJ, KABKIJ01, DOZMEK, KABKIJ, LACWAQ, RALDUD, LULQOB, MOZBUA, MOYSID, ITUVIF

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.