6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine

C13H12F3N3 — CID 79021968

IUPAC6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-8-5-6-11(17)12(18-8)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeySKWXWLJBAMCNCL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.73
Rot. Bonds2

About 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine

6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 79021968) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
PubChem CID79021968
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-8-5-6-11(17)12(18-8)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeySKWXWLJBAMCNCL-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405030
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 82059636
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
6-methyl-2-N-(4-phenylphenyl)pyridine-2,3-diamine
CID 81140251
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 79021968) is 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine is Cc1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The InChIKey is SKWXWLJBAMCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-8-5-6-11(17)12(18-8)19-10-4-2-3-9(7-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine has a molecular weight of 267.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 79021968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).