1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid

C9H6ClN3O2 — CID 130698719

IUPAC1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1-c1ncccc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-6-2-1-3-11-7(6)13-5-4-12-8(13)9(14)15/h1-5H,(H,14,15)
InChIKeyRCOMXUPAVWDBOQ-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.62
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid

1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid (PubChem CID 130698719) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid
PubChem CID130698719
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1-c1ncccc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-6-2-1-3-11-7(6)13-5-4-12-8(13)9(14)15/h1-5H,(H,14,15)
InChIKeyRCOMXUPAVWDBOQ-UHFFFAOYSA-N
XLogP1.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrimidin-2-ylimidazole-2-carboxylic acid
CID 130640830
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 154110164
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-bromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 66854448
1-(3-fluorophenyl)imidazole-2-carboxylic acid
CID 83882652
3-bromo-4-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141331734
4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 66854245
1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
CID 69081563
1-(3-chloro-2-pyridinyl)pyrrole-2-carbothioamide
CID 114654330
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid (CID 130698719) is 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid is O=C(O)c1nccn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid?
The InChIKey is RCOMXUPAVWDBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-6-2-1-3-11-7(6)13-5-4-12-8(13)9(14)15/h1-5H,(H,14,15).
What are the key properties of 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid?
1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 130698719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).