IJM

(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid

Created: 2023-08-01
Last modified:  2024-05-08

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count11
2D diagram of IJM
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Chemical Component Summary

Name(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)3-oxidanyl-4-oxidanylidene-6-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1~{H}-pyridine-2-carboxylic acid
FormulaC14 H8 F3 N5 O4
Molecular Weight367.24
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
SMILESCACTVS3.385OC(=O)C1=C(O)C(=O)C=C(N1)c2ccc(cc2C(F)(F)F)c3[nH]nnn3
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1c2[nH]nnn2)C(F)(F)F)C3=CC(=O)C(=C(N3)C(=O)O)O
Canonical SMILESCACTVS3.385 OC(=O)C1=C(O)C(=O)C=C(N1)c2ccc(cc2C(F)(F)F)c3[nH]nnn3
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(c(cc1c2[nH]nnn2)C(F)(F)F)C3=CC(=O)C(=C(N3)C(=O)O)O
InChIInChI1.06 InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
InChIKeyInChI1.06 CTOQHZRTEVUPLN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155555229
ChEMBL CHEMBL4551356