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

C13H11F4N3 — CID 81132199

IUPAC2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F4N3/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)
InChIKeyZEWWNDMJIHJWLE-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.87
Rot. Bonds2

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

2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine (PubChem CID 81132199) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
PubChem CID81132199
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F4N3/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)
InChIKeyZEWWNDMJIHJWLE-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 82059636
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 79020853
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine (CID 81132199) is 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(Nc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
The InChIKey is ZEWWNDMJIHJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/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-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine?
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine has a molecular weight of 285.24 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81132199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).