2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C9H7ClN2 — CID 938533

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCC2
InChIInChI=1S/C9H7ClN2/c10-9-7(5-11)4-6-2-1-3-8(6)12-9/h4H,1-3H2
InChIKeyWVPJKOKOAYOHFA-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.10
Rot. Bonds

About 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 938533) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID938533
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCC2
InChIInChI=1S/C9H7ClN2/c10-9-7(5-11)4-6-2-1-3-8(6)12-9/h4H,1-3H2
InChIKeyWVPJKOKOAYOHFA-UHFFFAOYSA-N
XLogP2.10
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 938533) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Cl)CCC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is WVPJKOKOAYOHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-9-7(5-11)4-6-2-1-3-8(6)12-9/h4H,1-3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 178.62 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 938533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).