3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C9H8Cl3F3N2 — CID 102751324

IUPAC3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCN(CCC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3F3N2/c1-17(3-2-9(13,14)15)8-6(11)4-5(10)7(12)16-8/h4H,2-3H2,1H3
InChIKeyJSGDBZPTNRQRIT-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.43
Rot. Bonds3

About 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine

3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 102751324) has the molecular formula C9H8Cl3F3N2 and a molecular weight of 307.53 g/mol. Its IUPAC name is 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID102751324
Molecular FormulaC9H8Cl3F3N2
Molecular Weight307.53 g/mol
Exact Mass305.97
IUPAC Name3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCN(CCC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3F3N2/c1-17(3-2-9(13,14)15)8-6(11)4-5(10)7(12)16-8/h4H,2-3H2,1H3
InChIKeyJSGDBZPTNRQRIT-UHFFFAOYSA-N
XLogP4.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)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

3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 102750408
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758333
3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 102750806
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847662
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
3,5-dichloro-6-N-(2,2-dimethylpropyl)-6-N-methylpyridine-2,6-diamine
CID 102757620

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 102751324) is 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine is CN(CCC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is JSGDBZPTNRQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F3N2/c1-17(3-2-9(13,14)15)8-6(11)4-5(10)7(12)16-8/h4H,2-3H2,1H3.
What are the key properties of 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 307.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 102751324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).