6-chloro-1-hydroxybenzimidazole-2-carboxylic acid

C8H5ClN2O3 — CID 123194154

IUPAC6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)cc2n1O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-5-6(3-4)11(14)7(10-5)8(12)13/h1-3,14H,(H,12,13)
InChIKeyFDLIHJVZBDBMRO-UHFFFAOYSA-N
MW212.59 g/mol
LogP1.63
Rot. Bonds1

About 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid

6-chloro-1-hydroxybenzimidazole-2-carboxylic acid (PubChem CID 123194154) has the molecular formula C8H5ClN2O3 and a molecular weight of 212.59 g/mol. Its IUPAC name is 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
PubChem CID123194154
Molecular FormulaC8H5ClN2O3
Molecular Weight212.59 g/mol
Exact Mass212.00
IUPAC Name6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)cc2n1O
InChIInChI=1S/C8H5ClN2O3/c9-4-1-2-5-6(3-4)11(14)7(10-5)8(12)13/h1-3,14H,(H,12,13)
InChIKeyFDLIHJVZBDBMRO-UHFFFAOYSA-N
XLogP1.63
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.59
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid
CID 124908404
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
CID 117264136
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
2-(6-chloro-1-piperidin-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 83017273
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
6-chloroquinoline-3-carboxylic acid
CID 14241492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid?
The IUPAC name of 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid (CID 123194154) is 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid is O=C(O)c1nc2ccc(Cl)cc2n1O.
What is the InChIKey of 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid?
The InChIKey is FDLIHJVZBDBMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3/c9-4-1-2-5-6(3-4)11(14)7(10-5)8(12)13/h1-3,14H,(H,12,13).
What are the key properties of 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid?
6-chloro-1-hydroxybenzimidazole-2-carboxylic acid has a molecular weight of 212.59 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-hydroxybenzimidazole-2-carboxylic acid is sourced from PubChem (CID 123194154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).