2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid

C13H8FN3O2 — CID 113452902

IUPAC2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cncc(F)c3)nc12
InChIInChI=1S/C13H8FN3O2/c14-8-4-7(5-15-6-8)12-16-10-3-1-2-9(13(18)19)11(10)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyNVMGFQQVLSCSPY-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.46
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid

2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 113452902) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID113452902
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cncc(F)c3)nc12
InChIInChI=1S/C13H8FN3O2/c14-8-4-7(5-15-6-8)12-16-10-3-1-2-9(13(18)19)11(10)17-12/h1-6H,(H,16,17)(H,18,19)
InChIKeyNVMGFQQVLSCSPY-UHFFFAOYSA-N
XLogP2.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 58073935
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(2-oxo-1H-pyridin-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 114039773
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid (CID 113452902) is 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is NVMGFQQVLSCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-8-4-7(5-15-6-8)12-16-10-3-1-2-9(13(18)19)11(10)17-12/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid?
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 113452902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).