2-(dichloromethyl)pyridine-3-carbonitrile

C7H4Cl2N2 — CID 86039056

IUPAC2-(dichloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(Cl)Cl
InChIInChI=1S/C7H4Cl2N2/c8-7(9)6-5(4-10)2-1-3-11-6/h1-3,7H
InChIKeyGQWPYWOILYZCDW-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.43
Rot. Bonds1

About 2-(dichloromethyl)pyridine-3-carbonitrile

2-(dichloromethyl)pyridine-3-carbonitrile (PubChem CID 86039056) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 2-(dichloromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dichloromethyl)pyridine-3-carbonitrile
PubChem CID86039056
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name2-(dichloromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(Cl)Cl
InChIInChI=1S/C7H4Cl2N2/c8-7(9)6-5(4-10)2-1-3-11-6/h1-3,7H
InChIKeyGQWPYWOILYZCDW-UHFFFAOYSA-N
XLogP2.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dichloromethyl)pyridine-3-carbonitrile (CID 86039056) is 2-(dichloromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dichloromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dichloromethyl)pyridine-3-carbonitrile is N#Cc1cccnc1C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)pyridine-3-carbonitrile?
The InChIKey is GQWPYWOILYZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-7(9)6-5(4-10)2-1-3-11-6/h1-3,7H.
What are the key properties of 2-(dichloromethyl)pyridine-3-carbonitrile?
2-(dichloromethyl)pyridine-3-carbonitrile has a molecular weight of 187.03 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 86039056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).