3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine

C9H9Cl3F2N2 — CID 107489974

IUPAC3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
SMILESFC(F)CN(CCCl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3F2N2/c10-1-2-16(5-8(13)14)9-7(12)3-6(11)4-15-9/h3-4,8H,1-2,5H2
InChIKeyVVJVCOCGGPPJKU-UHFFFAOYSA-N
MW289.54 g/mol
LogP3.70
Rot. Bonds5

About 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine

3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine (PubChem CID 107489974) has the molecular formula C9H9Cl3F2N2 and a molecular weight of 289.54 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
PubChem CID107489974
Molecular FormulaC9H9Cl3F2N2
Molecular Weight289.54 g/mol
Exact Mass287.98
IUPAC Name3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
SMILESFC(F)CN(CCCl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3F2N2/c10-1-2-16(5-8(13)14)9-7(12)3-6(11)4-15-9/h3-4,8H,1-2,5H2
InChIKeyVVJVCOCGGPPJKU-UHFFFAOYSA-N
XLogP3.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine 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

3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
CID 63390310
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
CID 107490132
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489921
N-(2-bromopropyl)-3,5-dichloro-N-methylpyridin-2-amine
CID 80671164
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107490116
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
CID 107490053
N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine
CID 107205213
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
CID 107488031
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
CID 79734463

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine (CID 107489974) is 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine is FC(F)CN(CCCl)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine?
The InChIKey is VVJVCOCGGPPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3F2N2/c10-1-2-16(5-8(13)14)9-7(12)3-6(11)4-15-9/h3-4,8H,1-2,5H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine?
3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine has a molecular weight of 289.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine is sourced from PubChem (CID 107489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).