(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C15H11F2NO — CID 79745802

IUPAC(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H11F2NO/c16-12-6-4-10(8-13(12)17)15(19)11-5-3-9-2-1-7-18-14(9)11/h1-2,4,6-8,11H,3,5H2
InChIKeyJAXQQGDSITYCGM-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.27
Rot. Bonds2

About (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 79745802) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID79745802
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H11F2NO/c16-12-6-4-10(8-13(12)17)15(19)11-5-3-9-2-1-7-18-14(9)11/h1-2,4,6-8,11H,3,5H2
InChIKeyJAXQQGDSITYCGM-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
1,3-dihydro-2-benzofuran-5-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783689
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
CID 79732735
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
CID 105115479
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 79745802) is (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is O=C(c1ccc(F)c(F)c1)C1CCc2cccnc21.
What is the InChIKey of (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is JAXQQGDSITYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-6-4-10(8-13(12)17)15(19)11-5-3-9-2-1-7-18-14(9)11/h1-2,4,6-8,11H,3,5H2.
What are the key properties of (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 259.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 79745802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).