2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile

C9H6Cl3N3 — CID 164646266

IUPAC2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCC=C(Cl)Cl)c1
InChIInChI=1S/C9H6Cl3N3/c10-7(11)1-2-14-9-4-6(5-13)3-8(12)15-9/h1,3-4H,2H2,(H,14,15)
InChIKeyHHNQNIFMHMWCAV-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile

2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile (PubChem CID 164646266) has the molecular formula C9H6Cl3N3 and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
PubChem CID164646266
Molecular FormulaC9H6Cl3N3
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCC=C(Cl)Cl)c1
InChIInChI=1S/C9H6Cl3N3/c10-7(11)1-2-14-9-4-6(5-13)3-8(12)15-9/h1,3-4H,2H2,(H,14,15)
InChIKeyHHNQNIFMHMWCAV-UHFFFAOYSA-N
XLogP3.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-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-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83076925
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
CID 130839313
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
2-chloro-6-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridine-4-carbonitrile
CID 83076843
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile (CID 164646266) is 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCC=C(Cl)Cl)c1.
What is the InChIKey of 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile?
The InChIKey is HHNQNIFMHMWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3N3/c10-7(11)1-2-14-9-4-6(5-13)3-8(12)15-9/h1,3-4H,2H2,(H,14,15).
What are the key properties of 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile?
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile has a molecular weight of 262.53 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 164646266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).