3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C15H10ClFN2 — CID 94282072

IUPAC3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C15H10ClFN2/c16-15-12(8-18)9-5-3-6-10(9)14(19-15)11-4-1-2-7-13(11)17/h1-2,4,7H,3,5-6H2
InChIKeyIIKOMAKIYLNBDH-UHFFFAOYSA-N
MW272.71 g/mol
LogP3.90
Rot. Bonds1

About 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 94282072) has the molecular formula C15H10ClFN2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID94282072
Molecular FormulaC15H10ClFN2
Molecular Weight272.71 g/mol
Exact Mass272.05
IUPAC Name3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C15H10ClFN2/c16-15-12(8-18)9-5-3-6-10(9)14(19-15)11-4-1-2-7-13(11)17/h1-2,4,7H,3,5-6H2
InChIKeyIIKOMAKIYLNBDH-UHFFFAOYSA-N
XLogP3.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(cyclopropylamino)-6-(2-fluorophenyl)pyrimidine-5-carbonitrile
CID 86617278
2-chloro-4-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonitrile
CID 130430638
3-benzylsulfanyl-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 2390753
5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514536
2-(2-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565273
3-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 2768142
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 89343072
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189
1-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3553678

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 94282072) is 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is N#Cc1c(Cl)nc(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is IIKOMAKIYLNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2/c16-15-12(8-18)9-5-3-6-10(9)14(19-15)11-4-1-2-7-13(11)17/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 272.71 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 94282072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).