2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride

C9H8ClN3O2 — CID 154814577

IUPAC2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccnc1-n1ccnc1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)7-2-1-3-11-8(7)12-5-4-10-6-12;/h1-6H,(H,13,14);1H
InChIKeySXLNLIUDQAAVPJ-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.39
Rot. Bonds2

About 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride

2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 154814577) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
PubChem CID154814577
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccnc1-n1ccnc1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)7-2-1-3-11-8(7)12-5-4-10-6-12;/h1-6H,(H,13,14);1H
InChIKeySXLNLIUDQAAVPJ-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride (CID 154814577) is 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccnc1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is SXLNLIUDQAAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.ClH/c13-9(14)7-2-1-3-11-8(7)12-5-4-10-6-12;/h1-6H,(H,13,14);1H.
What are the key properties of 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride?
2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154814577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).