3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine

C18H15BrN2 — CID 58028152

IUPAC3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C18H15BrN2/c1-13-11-16(19)18(20-12-13)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21)
InChIKeyJJVBIWGQJPGLHH-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.56
Rot. Bonds3

About 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine

3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine (PubChem CID 58028152) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine
PubChem CID58028152
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC Name3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C18H15BrN2/c1-13-11-16(19)18(20-12-13)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21)
InChIKeyJJVBIWGQJPGLHH-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine (CID 58028152) is 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine is Cc1cnc(Nc2ccccc2-c2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine?
The InChIKey is JJVBIWGQJPGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c1-13-11-16(19)18(20-12-13)21-17-10-6-5-9-15(17)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21).
What are the key properties of 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine?
3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine has a molecular weight of 339.24 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-phenylphenyl)pyridin-2-amine is sourced from PubChem (CID 58028152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).