(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C15H12ClNO — CID 79746175

IUPAC(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCc2cccnc21
InChIInChI=1S/C15H12ClNO/c16-12-6-3-11(4-7-12)15(18)13-8-5-10-2-1-9-17-14(10)13/h1-4,6-7,9,13H,5,8H2
InChIKeyJGNYJKPTYIAMTH-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.65
Rot. Bonds2

About (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 79746175) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID79746175
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCc2cccnc21
InChIInChI=1S/C15H12ClNO/c16-12-6-3-11(4-7-12)15(18)13-8-5-10-2-1-9-17-14(10)13/h1-4,6-7,9,13H,5,8H2
InChIKeyJGNYJKPTYIAMTH-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
1,3-dihydro-2-benzofuran-5-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783689
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 79746175) is (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is O=C(c1ccc(Cl)cc1)C1CCc2cccnc21.
What is the InChIKey of (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is JGNYJKPTYIAMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-6-3-11(4-7-12)15(18)13-8-5-10-2-1-9-17-14(10)13/h1-4,6-7,9,13H,5,8H2.
What are the key properties of (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 257.72 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 79746175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).