6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile

C11H5Cl2N3 — CID 171482377

IUPAC6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cnc(Cl)cc2Cl)n1
InChIInChI=1S/C11H5Cl2N3/c12-9-4-11(13)15-6-8(9)10-3-1-2-7(5-14)16-10/h1-4,6H
InChIKeyQSVTZYOLCKEXGI-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.32
Rot. Bonds1

About 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile

6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile (PubChem CID 171482377) has the molecular formula C11H5Cl2N3 and a molecular weight of 250.09 g/mol. Its IUPAC name is 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile
PubChem CID171482377
Molecular FormulaC11H5Cl2N3
Molecular Weight250.09 g/mol
Exact Mass248.99
IUPAC Name6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cnc(Cl)cc2Cl)n1
InChIInChI=1S/C11H5Cl2N3/c12-9-4-11(13)15-6-8(9)10-3-1-2-7(5-14)16-10/h1-4,6H
InChIKeyQSVTZYOLCKEXGI-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.32
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 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile (CID 171482377) is 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile is N#Cc1cccc(-c2cnc(Cl)cc2Cl)n1.
What is the InChIKey of 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is QSVTZYOLCKEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3/c12-9-4-11(13)15-6-8(9)10-3-1-2-7(5-14)16-10/h1-4,6H.
What are the key properties of 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile?
6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 250.09 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dichloro-3-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 171482377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).