1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C9H6Cl2N2 — CID 611372

IUPAC1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c2c1CCC2
InChIInChI=1S/C9H6Cl2N2/c10-8-6-3-1-2-5(6)7(4-12)9(11)13-8/h1-3H2
InChIKeyZCRYHTATGWYSMB-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.75
Rot. Bonds

About 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 611372) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID611372
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c2c1CCC2
InChIInChI=1S/C9H6Cl2N2/c10-8-6-3-1-2-5(6)7(4-12)9(11)13-8/h1-3H2
InChIKeyZCRYHTATGWYSMB-UHFFFAOYSA-N
XLogP2.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.75
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 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 611372) is 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is N#Cc1c(Cl)nc(Cl)c2c1CCC2.
What is the InChIKey of 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is ZCRYHTATGWYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-8-6-3-1-2-5(6)7(4-12)9(11)13-8/h1-3H2.
What are the key properties of 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 213.07 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 611372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).