2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile

C11H6ClN3 — CID 4611098

IUPAC2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H6ClN3/c12-11-8(6-13)3-4-10(15-11)9-2-1-5-14-7-9/h1-5,7H
InChIKeyRVBMVHJVENJEOQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.67
Rot. Bonds1

About 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile

2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 4611098) has the molecular formula C11H6ClN3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID4611098
Molecular FormulaC11H6ClN3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H6ClN3/c12-11-8(6-13)3-4-10(15-11)9-2-1-5-14-7-9/h1-5,7H
InChIKeyRVBMVHJVENJEOQ-UHFFFAOYSA-N
XLogP2.67
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.67
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-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile (CID 4611098) is 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is RVBMVHJVENJEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3/c12-11-8(6-13)3-4-10(15-11)9-2-1-5-14-7-9/h1-5,7H.
What are the key properties of 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile?
2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 215.64 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 4611098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).