3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine

C13H10BrF3N2O — CID 164562906

IUPAC3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C13H10BrF3N2O/c1-20-9-4-2-8(3-5-9)18-12-10(14)6-7-11(19-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyBSWUZODPVKHCDY-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.62
Rot. Bonds3

About 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine

3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 164562906) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID164562906
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C13H10BrF3N2O/c1-20-9-4-2-8(3-5-9)18-12-10(14)6-7-11(19-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyBSWUZODPVKHCDY-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine (CID 164562906) is 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine is COc1ccc(Nc2nc(C(F)(F)F)ccc2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSWUZODPVKHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-20-9-4-2-8(3-5-9)18-12-10(14)6-7-11(19-12)13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 347.13 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 164562906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).