methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate

C17H14ClNO2 — CID 157410943

IUPACmethyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(Cc1cccc(Cl)c1)=C2
InChIInChI=1S/C17H14ClNO2/c1-21-17(20)14-5-6-19-16-10-12(9-15(14)16)7-11-3-2-4-13(18)8-11/h2-6,8,10H,7,9H2,1H3
InChIKeyBOGZOMRLRCJRRJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.70
Rot. Bonds3

About methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate

methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 157410943) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
PubChem CID157410943
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Namemethyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2c1CC(Cc1cccc(Cl)c1)=C2
InChIInChI=1S/C17H14ClNO2/c1-21-17(20)14-5-6-19-16-10-12(9-15(14)16)7-11-3-2-4-13(18)8-11/h2-6,8,10H,7,9H2,1H3
InChIKeyBOGZOMRLRCJRRJ-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]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

methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
CID 147773353
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
CID 152841006
1-[6-[(4-chloro-3-methylphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]-2-isocyanoethanone
CID 157444487
methyl 6-(1-hydroxycyclohexyl)-5H-cyclopenta[b]pyridine-4-carboxylate
CID 147865294
methyl 4-[(1S)-1-[[8-[(3-chlorophenyl)methyl]isoquinolin-1-yl]amino]ethyl]benzoate
CID 118887970
methyl 4-[(3-chlorophenyl)methylamino]pyrimidine-5-carboxylate
CID 114214358
methyl 4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 18871108
methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 158337857
2-(3-chlorophenyl)-1-(3-fluoro-2-methoxy-4-pyridinyl)ethanone
CID 114270306
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 159527424
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate (CID 157410943) is methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate is COC(=O)c1ccnc2c1CC(Cc1cccc(Cl)c1)=C2.
What is the InChIKey of methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate?
The InChIKey is BOGZOMRLRCJRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-21-17(20)14-5-6-19-16-10-12(9-15(14)16)7-11-3-2-4-13(18)8-11/h2-6,8,10H,7,9H2,1H3.
What are the key properties of methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate?
methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate has a molecular weight of 299.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-chlorophenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 157410943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).