2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid

C13H9N3O2 — CID 11499662

IUPAC2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18)
InChIKeyJORAKCUOJBWTKP-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid

2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid (PubChem CID 11499662) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid
PubChem CID11499662
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18)
InChIKeyJORAKCUOJBWTKP-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid (CID 11499662) is 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3cccnc3)nc12.
What is the InChIKey of 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is JORAKCUOJBWTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)9-4-1-5-10-11(9)16-12(15-10)8-3-2-6-14-7-8/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid?
2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 11499662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).