2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

C16H12FN3O2 — CID 90407242

IUPAC2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c1-20-9-19-14(13-8-11(16(21)22)6-7-18-13)15(20)10-2-4-12(17)5-3-10/h2-9H,1H3,(H,21,22)
InChIKeyONKWECDQZPASOC-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.99
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407242) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407242
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c1-20-9-19-14(13-8-11(16(21)22)6-7-18-13)15(20)10-2-4-12(17)5-3-10/h2-9H,1H3,(H,21,22)
InChIKeyONKWECDQZPASOC-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
Zolpidem carboxylic acid
CID 11966044
4-(1-Imidazolyl)benzoic Acid
CID 736529
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}benzoic acid
CID 23647107
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
3-(6-Amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
CID 11702405

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 90407242) is 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ONKWECDQZPASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-20-9-19-14(13-8-11(16(21)22)6-7-18-13)15(20)10-2-4-12(17)5-3-10/h2-9H,1H3,(H,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).