2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine

C13H11ClF3N3 — CID 82059636

IUPAC2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3/c1-7-2-5-11(18)12(19-7)20-8-3-4-10(14)9(6-8)13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZMZWIWAURATTJI-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.39
Rot. Bonds2

About 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine

2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine (PubChem CID 82059636) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
PubChem CID82059636
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3/c1-7-2-5-11(18)12(19-7)20-8-3-4-10(14)9(6-8)13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZMZWIWAURATTJI-UHFFFAOYSA-N
XLogP4.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine 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-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 79020853
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
2-N-(2,6-dichloro-4-fluorophenyl)-6-methylpyridine-2,3-diamine
CID 83076948
4-N-(5-chloro-2-methylphenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547312
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706
4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1H-pyrimidin-6-one
CID 135764106
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924846

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine (CID 82059636) is 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The InChIKey is ZMZWIWAURATTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-7-2-5-11(18)12(19-7)20-8-3-4-10(14)9(6-8)13(15,16)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine has a molecular weight of 301.70 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 82059636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).