4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid

C14H11N3O3 — CID 90027807

IUPAC4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(-c2nc3ccccc3[nH]2)ccnc1C(=O)O
InChIInChI=1S/C14H11N3O3/c1-20-12-8(6-7-15-11(12)14(18)19)13-16-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyQGRLAXZCIGJKSR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.33
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid

4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid (PubChem CID 90027807) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
PubChem CID90027807
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(-c2nc3ccccc3[nH]2)ccnc1C(=O)O
InChIInChI=1S/C14H11N3O3/c1-20-12-8(6-7-15-11(12)14(18)19)13-16-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyQGRLAXZCIGJKSR-UHFFFAOYSA-N
XLogP2.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carbonitrile
CID 90027902
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027418
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
bis(1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole);propan-2-one
CID 139046282
methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-[2-(1H-benzimidazol-2-yl)-6-methoxy-4-nitrophenoxy]acetic acid
CID 168554565
2-[4-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 129315728

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid (CID 90027807) is 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid is COc1c(-c2nc3ccccc3[nH]2)ccnc1C(=O)O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid?
The InChIKey is QGRLAXZCIGJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-12-8(6-7-15-11(12)14(18)19)13-16-9-4-2-3-5-10(9)17-13/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid?
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 90027807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).