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

C12H7BrClF3N2 — CID 164562753

IUPAC3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Br)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H7BrClF3N2/c13-9-5-6-10(12(15,16)17)19-11(9)18-8-3-1-7(14)2-4-8/h1-6H,(H,18,19)
InChIKeyKOXKNKCIDOROTO-UHFFFAOYSA-N
MW351.55 g/mol
LogP5.26
Rot. Bonds2

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

3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 164562753) has the molecular formula C12H7BrClF3N2 and a molecular weight of 351.55 g/mol. Its IUPAC name is 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID164562753
Molecular FormulaC12H7BrClF3N2
Molecular Weight351.55 g/mol
Exact Mass349.94
IUPAC Name3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Br)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H7BrClF3N2/c13-9-5-6-10(12(15,16)17)19-11(9)18-8-3-1-7(14)2-4-8/h1-6H,(H,18,19)
InChIKeyKOXKNKCIDOROTO-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine (CID 164562753) is 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(Br)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KOXKNKCIDOROTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2/c13-9-5-6-10(12(15,16)17)19-11(9)18-8-3-1-7(14)2-4-8/h1-6H,(H,18,19).
What are the key properties of 3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-(4-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.55 g/mol, XLogP of 5.26, 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-chlorophenyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 164562753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).