ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate

C16H16ClNO4 — CID 22557799

IUPACethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(OC)c(Cl)c(OC)c2)c1
InChIInChI=1S/C16H16ClNO4/c1-4-22-16(19)10-5-6-18-12(7-10)11-8-13(20-2)15(17)14(9-11)21-3/h5-9H,4H2,1-3H3
InChIKeyGLCZESBGOVFORB-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.60
Rot. Bonds5

About ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate

ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate (PubChem CID 22557799) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
PubChem CID22557799
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Nameethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(OC)c(Cl)c(OC)c2)c1
InChIInChI=1S/C16H16ClNO4/c1-4-22-16(19)10-5-6-18-12(7-10)11-8-13(20-2)15(17)14(9-11)21-3/h5-9H,4H2,1-3H3
InChIKeyGLCZESBGOVFORB-UHFFFAOYSA-N
XLogP3.60
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-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 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
CID 22938063
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
ethyl (E)-3-[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]prop-2-enoate
CID 142201344
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate (CID 22557799) is ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2cc(OC)c(Cl)c(OC)c2)c1.
What is the InChIKey of ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate?
The InChIKey is GLCZESBGOVFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-4-22-16(19)10-5-6-18-12(7-10)11-8-13(20-2)15(17)14(9-11)21-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate?
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate has a molecular weight of 321.76 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 22557799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).