2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile

C10H6ClN3 — CID 916175

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile
SMILESN#Cc1c(Cl)nc2c(c1C#N)CCC2
InChIInChI=1S/C10H6ClN3/c11-10-8(5-13)7(4-12)6-2-1-3-9(6)14-10/h1-3H2
InChIKeyRHRDJWKCQZNUGQ-UHFFFAOYSA-N
MW203.63 g/mol
LogP1.97
Rot. Bonds

About 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile (PubChem CID 916175) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile
PubChem CID916175
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile
SMILESN#Cc1c(Cl)nc2c(c1C#N)CCC2
InChIInChI=1S/C10H6ClN3/c11-10-8(5-13)7(4-12)6-2-1-3-9(6)14-10/h1-3H2
InChIKeyRHRDJWKCQZNUGQ-UHFFFAOYSA-N
XLogP1.97
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3,4-dicarbonitrile?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile (CID 916175) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile is N#Cc1c(Cl)nc2c(c1C#N)CCC2.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile?
The InChIKey is RHRDJWKCQZNUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-10-8(5-13)7(4-12)6-2-1-3-9(6)14-10/h1-3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile has a molecular weight of 203.63 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 916175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).