ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate

C24H26ClNO3 — CID 143249319

IUPACethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C22H20ClNO3.C2H6/c1-2-26-22(25)20-10-6-9-19(24-20)14-17-13-18(23)11-12-21(17)27-15-16-7-4-3-5-8-16;1-2/h3-13H,2,14-15H2,1H3;1-2H3
InChIKeyGAFDUQUPQBCYJW-UHFFFAOYSA-N
MW411.93 g/mol
LogP6.11
Rot. Bonds7

About ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate

ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate (PubChem CID 143249319) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
PubChem CID143249319
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Nameethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C22H20ClNO3.C2H6/c1-2-26-22(25)20-10-6-9-19(24-20)14-17-13-18(23)11-12-21(17)27-15-16-7-4-3-5-8-16;1-2/h3-13H,2,14-15H2,1H3;1-2H3
InChIKeyGAFDUQUPQBCYJW-UHFFFAOYSA-N
XLogP6.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-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 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 59786538
ethyl 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate
CID 59384274
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
CID 24753872
ethyl 4-[(5-chloro-2-phenylmethoxyphenyl)methyl-ethylamino]benzoate
CID 54448458
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate (CID 143249319) is ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate is CC.CCOC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate?
The InChIKey is GAFDUQUPQBCYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3.C2H6/c1-2-26-22(25)20-10-6-9-19(24-20)14-17-13-18(23)11-12-21(17)27-15-16-7-4-3-5-8-16;1-2/h3-13H,2,14-15H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate?
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate has a molecular weight of 411.93 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 143249319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).