3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine

C13H9BrF4N2 — CID 105367742

IUPAC3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(C(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C13H9BrF4N2/c1-7-4-10(14)12(19-6-7)20-8-2-3-11(15)9(5-8)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyFLTCJAZZUIRKIT-UHFFFAOYSA-N
MW349.13 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine

3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine (PubChem CID 105367742) has the molecular formula C13H9BrF4N2 and a molecular weight of 349.13 g/mol. Its IUPAC name is 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
PubChem CID105367742
Molecular FormulaC13H9BrF4N2
Molecular Weight349.13 g/mol
Exact Mass347.99
IUPAC Name3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(C(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C13H9BrF4N2/c1-7-4-10(14)12(19-6-7)20-8-2-3-11(15)9(5-8)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyFLTCJAZZUIRKIT-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.13
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
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
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 64622843
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
4-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 114837184
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
CID 84604430
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine (CID 105367742) is 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine is Cc1cnc(Nc2ccc(F)c(C(F)(F)F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine?
The InChIKey is FLTCJAZZUIRKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2/c1-7-4-10(14)12(19-6-7)20-8-2-3-11(15)9(5-8)13(16,17)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine?
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine has a molecular weight of 349.13 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105367742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).