ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate

C14H12ClNO2 — CID 54268736

IUPACethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-2-18-14(17)11-7-5-9-16-13(11)10-6-3-4-8-12(10)15/h3-9H,2H2,1H3
InChIKeyRIQKGUOWKLWLGM-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.58
Rot. Bonds3

About ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate

ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate (PubChem CID 54268736) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
PubChem CID54268736
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Nameethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-2-18-14(17)11-7-5-9-16-13(11)10-6-3-4-8-12(10)15/h3-9H,2H2,1H3
InChIKeyRIQKGUOWKLWLGM-UHFFFAOYSA-N
XLogP3.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate 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

ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
ethyl 2-(bromomethyl)-4-(2-chlorophenyl)pyrimidine-5-carboxylate
CID 67125220
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
ethyl 4-(2-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71598975
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
2-(2-chlorophenyl)pyridine-3-carboximidamide
CID 151921655
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate (CID 54268736) is ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate?
The InChIKey is RIQKGUOWKLWLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-2-18-14(17)11-7-5-9-16-13(11)10-6-3-4-8-12(10)15/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate?
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate has a molecular weight of 261.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 54268736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).