2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid

C11H10ClN3O2 — CID 61402497

IUPAC2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid
SMILESCCc1nccn1-c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H10ClN3O2/c1-2-9-13-3-4-15(9)10-6-7(11(16)17)5-8(12)14-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyQMUHAQPVJCVJHJ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 61402497) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid
PubChem CID61402497
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid
SMILESCCc1nccn1-c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H10ClN3O2/c1-2-9-13-3-4-15(9)10-6-7(11(16)17)5-8(12)14-10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyQMUHAQPVJCVJHJ-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid (CID 61402497) is 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid is CCc1nccn1-c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is QMUHAQPVJCVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-2-9-13-3-4-15(9)10-6-7(11(16)17)5-8(12)14-10/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 61402497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).