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

C12H7BrF4N2 — CID 63464155

IUPAC3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1ccc(C(F)(F)F)cc1Nc1ncccc1Br
InChIInChI=1S/C12H7BrF4N2/c13-8-2-1-5-18-11(8)19-10-6-7(12(15,16)17)3-4-9(10)14/h1-6H,(H,18,19)
InChIKeyBYOJVXGBUCNGAK-UHFFFAOYSA-N
MW335.10 g/mol
LogP4.75
Rot. Bonds2

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

3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 63464155) has the molecular formula C12H7BrF4N2 and a molecular weight of 335.10 g/mol. Its IUPAC name is 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID63464155
Molecular FormulaC12H7BrF4N2
Molecular Weight335.10 g/mol
Exact Mass333.97
IUPAC Name3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFc1ccc(C(F)(F)F)cc1Nc1ncccc1Br
InChIInChI=1S/C12H7BrF4N2/c13-8-2-1-5-18-11(8)19-10-6-7(12(15,16)17)3-4-9(10)14/h1-6H,(H,18,19)
InChIKeyBYOJVXGBUCNGAK-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine (CID 63464155) is 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine is Fc1ccc(C(F)(F)F)cc1Nc1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is BYOJVXGBUCNGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2/c13-8-2-1-5-18-11(8)19-10-6-7(12(15,16)17)3-4-9(10)14/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine?
3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-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 3-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 63464155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).