6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile

C8H9ClN4 — CID 131970588

IUPAC6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
SMILESCCN(N)c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C8H9ClN4/c1-2-13(11)7-4-3-6(5-10)8(9)12-7/h3-4H,2,11H2,1H3
InChIKeyYILUFMBAWFROGN-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.31
Rot. Bonds2

About 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile

6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile (PubChem CID 131970588) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
PubChem CID131970588
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
SMILESCCN(N)c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C8H9ClN4/c1-2-13(11)7-4-3-6(5-10)8(9)12-7/h3-4H,2,11H2,1H3
InChIKeyYILUFMBAWFROGN-UHFFFAOYSA-N
XLogP1.31
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[amino(ethyl)amino]-2-chloropyridine-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

Related Compounds

2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816
(6-chloro-5-cyano-2-pyridinyl) ethanesulfonate
CID 174986490
2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
CID 84703537
(6-chloro-5-cyano-2-pyridinyl) propanoate
CID 175203357
6-chloro-2-[(6-chloro-3-pyridinyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 141332533
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
CID 178072823
2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile
CID 175761427
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647
2-chloro-6-(2-cyano-3-oxobutyl)pyridine-3-carbonitrile
CID 139369544
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
CID 83074738
2-chloro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 142587231

Frequently Asked Questions

What is the IUPAC name of 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile?
The IUPAC name of 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile (CID 131970588) is 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile is CCN(N)c1ccc(C#N)c(Cl)n1.
What is the InChIKey of 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile?
The InChIKey is YILUFMBAWFROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-2-13(11)7-4-3-6(5-10)8(9)12-7/h3-4H,2,11H2,1H3.
What are the key properties of 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile?
6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile has a molecular weight of 196.64 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile is sourced from PubChem (CID 131970588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).