2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine

C13H11F4N3 — CID 62477062

IUPAC2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3/c1-7-4-8(18)6-19-12(7)20-9-2-3-11(14)10(5-9)13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNPGVXTKKOVAACM-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.87
Rot. Bonds2

About 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine

2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine (PubChem CID 62477062) 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]-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
PubChem CID62477062
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3/c1-7-4-8(18)6-19-12(7)20-9-2-3-11(14)10(5-9)13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNPGVXTKKOVAACM-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-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
2-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylpyridine-2,5-diamine
CID 62477042
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine (CID 62477062) is 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine?
The InChIKey is NPGVXTKKOVAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-7-4-8(18)6-19-12(7)20-9-2-3-11(14)10(5-9)13(15,16)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine?
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-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]-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 62477062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).