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

C12H7BrF4N2 — CID 113423559

IUPAC5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1ccc(C(F)(F)F)cc1Nc1cncc(Br)c1
InChIInChI=1S/C12H7BrF4N2/c13-8-4-9(6-18-5-8)19-11-3-7(12(15,16)17)1-2-10(11)14/h1-6,19H
InChIKeyKBTUWEIBFZUUMJ-UHFFFAOYSA-N
MW335.10 g/mol
LogP4.75
Rot. Bonds2

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

5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 113423559) has the molecular formula C12H7BrF4N2 and a molecular weight of 335.10 g/mol. Its IUPAC name is 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID113423559
Molecular FormulaC12H7BrF4N2
Molecular Weight335.10 g/mol
Exact Mass333.97
IUPAC Name5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1ccc(C(F)(F)F)cc1Nc1cncc(Br)c1
InChIInChI=1S/C12H7BrF4N2/c13-8-4-9(6-18-5-8)19-11-3-7(12(15,16)17)1-2-10(11)14/h1-6,19H
InChIKeyKBTUWEIBFZUUMJ-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
5-bromo-N-(3-bromo-4-fluorophenyl)pyridin-3-amine
CID 104780278
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464155
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
4-[2-fluoro-5-(trifluoromethyl)anilino]benzenecarbothioamide
CID 63037884
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503705
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine
CID 114043480
5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine (CID 113423559) is 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1ccc(C(F)(F)F)cc1Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is KBTUWEIBFZUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2/c13-8-4-9(6-18-5-8)19-11-3-7(12(15,16)17)1-2-10(11)14/h1-6,19H.
What are the key properties of 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine?
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 335.10 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 113423559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).