2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid

C10H8N2O3 — CID 19794066

IUPAC2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1ncc[nH]1
InChIInChI=1S/C10H8N2O3/c13-7-3-1-2-6(8(7)10(14)15)9-11-4-5-12-9/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyUNXGZWNGSWDYKP-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.48
Rot. Bonds2

About 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid

2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid (PubChem CID 19794066) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid
PubChem CID19794066
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1ncc[nH]1
InChIInChI=1S/C10H8N2O3/c13-7-3-1-2-6(8(7)10(14)15)9-11-4-5-12-9/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyUNXGZWNGSWDYKP-UHFFFAOYSA-N
XLogP1.48
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid (CID 19794066) is 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid is O=C(O)c1c(O)cccc1-c1ncc[nH]1.
What is the InChIKey of 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid?
The InChIKey is UNXGZWNGSWDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-7-3-1-2-6(8(7)10(14)15)9-11-4-5-12-9/h1-5,13H,(H,11,12)(H,14,15).
What are the key properties of 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid?
2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid has a molecular weight of 204.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 19794066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).