4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile

C12H14ClN3 — CID 149200871

IUPAC4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile
SMILESC/C=C\CC(C)c1c(Cl)ncc(C#N)c1N
InChIInChI=1S/C12H14ClN3/c1-3-4-5-8(2)10-11(15)9(6-14)7-16-12(10)13/h3-4,7-8H,5H2,1-2H3,(H2,15,16)/b4-3-
InChIKeyXEQXKFKHFUASSZ-ARJAWSKDSA-N
MW235.72 g/mol
LogP3.26
Rot. Bonds3

About 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile

4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile (PubChem CID 149200871) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile
PubChem CID149200871
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile
SMILESC/C=C\CC(C)c1c(Cl)ncc(C#N)c1N
InChIInChI=1S/C12H14ClN3/c1-3-4-5-8(2)10-11(15)9(6-14)7-16-12(10)13/h3-4,7-8H,5H2,1-2H3,(H2,15,16)/b4-3-
InChIKeyXEQXKFKHFUASSZ-ARJAWSKDSA-N
XLogP3.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]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

Related Compounds

1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83924962
2-chloro-4-ethylpyridine-3,5-dicarbonitrile
CID 151362534
4-amino-6-methyl-5-propylpyridine-3-carbonitrile
CID 170229484
ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
2-butyl-4-chloropyrimidine-5-carbonitrile
CID 19792000
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
4-chloro-2-(methylsulfonylmethyl)pyrimidine-5-carbonitrile
CID 130540979

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile (CID 149200871) is 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile is C/C=C\CC(C)c1c(Cl)ncc(C#N)c1N.
What is the InChIKey of 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile?
The InChIKey is XEQXKFKHFUASSZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-3-4-5-8(2)10-11(15)9(6-14)7-16-12(10)13/h3-4,7-8H,5H2,1-2H3,(H2,15,16)/b4-3-.
What are the key properties of 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile?
4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile has a molecular weight of 235.72 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-[(Z)-hex-4-en-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 149200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).