(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C15H11Cl2NO — CID 115783719

IUPAC(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C15H11Cl2NO/c16-11-6-10(7-12(17)8-11)15(19)13-4-3-9-2-1-5-18-14(9)13/h1-2,5-8,13H,3-4H2
InChIKeyHSWWBJNQNROIHO-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.30
Rot. Bonds2

About (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 115783719) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID115783719
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C15H11Cl2NO/c16-11-6-10(7-12(17)8-11)15(19)13-4-3-9-2-1-5-18-14(9)13/h1-2,5-8,13H,3-4H2
InChIKeyHSWWBJNQNROIHO-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 115783719) is (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is O=C(c1cc(Cl)cc(Cl)c1)C1CCc2cccnc21.
What is the InChIKey of (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is HSWWBJNQNROIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-11-6-10(7-12(17)8-11)15(19)13-4-3-9-2-1-5-18-14(9)13/h1-2,5-8,13H,3-4H2.
What are the key properties of (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 292.17 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 115783719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).