6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile

C14H12Cl2N4 — CID 141332533

IUPAC6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile
SMILESCCN(Cc1ccc(Cl)nc1)c1nc(Cl)ccc1C#N
InChIInChI=1S/C14H12Cl2N4/c1-2-20(9-10-3-5-12(15)18-8-10)14-11(7-17)4-6-13(16)19-14/h3-6,8H,2,9H2,1H3
InChIKeyXQEGXYAGSVBOGK-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.68
Rot. Bonds4

About 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile

6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile (PubChem CID 141332533) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile
PubChem CID141332533
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile
SMILESCCN(Cc1ccc(Cl)nc1)c1nc(Cl)ccc1C#N
InChIInChI=1S/C14H12Cl2N4/c1-2-20(9-10-3-5-12(15)18-8-10)14-11(7-17)4-6-13(16)19-14/h3-6,8H,2,9H2,1H3
InChIKeyXQEGXYAGSVBOGK-UHFFFAOYSA-N
XLogP3.68
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile (CID 141332533) is 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile is CCN(Cc1ccc(Cl)nc1)c1nc(Cl)ccc1C#N.
What is the InChIKey of 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile?
The InChIKey is XQEGXYAGSVBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-2-20(9-10-3-5-12(15)18-8-10)14-11(7-17)4-6-13(16)19-14/h3-6,8H,2,9H2,1H3.
What are the key properties of 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile?
6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile has a molecular weight of 307.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 141332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).