6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid

C8H5FN2O3 — CID 124908404

IUPAC6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(F)cc2n1O
InChIInChI=1S/C8H5FN2O3/c9-4-1-2-5-6(3-4)11(14)7(10-5)8(12)13/h1-3,14H,(H,12,13)
InChIKeyOIXAMCGLHPOMAM-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.11
Rot. Bonds1

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

6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid (PubChem CID 124908404) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid
PubChem CID124908404
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(F)cc2n1O
InChIInChI=1S/C8H5FN2O3/c9-4-1-2-5-6(3-4)11(14)7(10-5)8(12)13/h1-3,14H,(H,12,13)
InChIKeyOIXAMCGLHPOMAM-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
CID 123194154
6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
CID 124908622
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
CID 70686270
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid?
The IUPAC name of 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid (CID 124908404) is 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid is O=C(O)c1nc2ccc(F)cc2n1O.
What is the InChIKey of 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid?
The InChIKey is OIXAMCGLHPOMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/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-fluoro-1-hydroxybenzimidazole-2-carboxylic acid?
6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid has a molecular weight of 196.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-hydroxybenzimidazole-2-carboxylic acid is sourced from PubChem (CID 124908404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).