4-bromo-N,3-diphenylpyridin-2-amine

C17H13BrN2 — CID 67535365

IUPAC4-bromo-N,3-diphenylpyridin-2-amine
SMILESBrc1ccnc(Nc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2/c18-15-11-12-19-17(20-14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13/h1-12H,(H,19,20)
InChIKeyFUGUWFSQXFZDKD-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.25
Rot. Bonds3

About 4-bromo-N,3-diphenylpyridin-2-amine

4-bromo-N,3-diphenylpyridin-2-amine (PubChem CID 67535365) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-N,3-diphenylpyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N,3-diphenylpyridin-2-amine
PubChem CID67535365
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name4-bromo-N,3-diphenylpyridin-2-amine
SMILESBrc1ccnc(Nc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2/c18-15-11-12-19-17(20-14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13/h1-12H,(H,19,20)
InChIKeyFUGUWFSQXFZDKD-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-diphenylpyridin-2-amine?
The IUPAC name of 4-bromo-N,3-diphenylpyridin-2-amine (CID 67535365) is 4-bromo-N,3-diphenylpyridin-2-amine.
What is the SMILES notation for 4-bromo-N,3-diphenylpyridin-2-amine?
The canonical SMILES for 4-bromo-N,3-diphenylpyridin-2-amine is Brc1ccnc(Nc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-bromo-N,3-diphenylpyridin-2-amine?
The InChIKey is FUGUWFSQXFZDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-15-11-12-19-17(20-14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13/h1-12H,(H,19,20).
What are the key properties of 4-bromo-N,3-diphenylpyridin-2-amine?
4-bromo-N,3-diphenylpyridin-2-amine has a molecular weight of 325.21 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,3-diphenylpyridin-2-amine is sourced from PubChem (CID 67535365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).