4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H12ClN — CID 118037090

IUPAC4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1cc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H12ClN/c15-12-9-14(10-5-2-1-3-6-10)16-13-8-4-7-11(12)13/h1-3,5-6,9H,4,7-8H2
InChIKeyPGPGDKWVFGXIPP-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.89
Rot. Bonds1

About 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine

4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 118037090) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID118037090
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1cc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C14H12ClN/c15-12-9-14(10-5-2-1-3-6-10)16-13-8-4-7-11(12)13/h1-3,5-6,9H,4,7-8H2
InChIKeyPGPGDKWVFGXIPP-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675
4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037185
4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 3321214
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90112275
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
CID 15020616
2-phenyl-N-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 139663457
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
4-(4-ethylpiperazin-1-yl)-2-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 139663427
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408824
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 118037090) is 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1cc(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is PGPGDKWVFGXIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-12-9-14(10-5-2-1-3-6-10)16-13-8-4-7-11(12)13/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 229.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 118037090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).