5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine

C17H13BrN2O — CID 104531681

IUPAC5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine
SMILESBrc1cncc(Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C17H13BrN2O/c18-13-9-15(12-19-11-13)20-14-5-4-8-17(10-14)21-16-6-2-1-3-7-16/h1-12,20H
InChIKeyQRTUHBNOBGBHCF-UHFFFAOYSA-N
MW341.21 g/mol
LogP5.38
Rot. Bonds4

About 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine

5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine (PubChem CID 104531681) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine
PubChem CID104531681
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine
SMILESBrc1cncc(Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C17H13BrN2O/c18-13-9-15(12-19-11-13)20-14-5-4-8-17(10-14)21-16-6-2-1-3-7-16/h1-12,20H
InChIKeyQRTUHBNOBGBHCF-UHFFFAOYSA-N
XLogP5.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.21
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
[2-oxo-2-(3-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 16523043
5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
5-iodo-N-(3-phenoxyphenyl)pyrimidin-4-amine
CID 66319058
3-bromo-N-phenylaniline
CID 14958606
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475
5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
CID 104531433
N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine
CID 11595025
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
N-methoxy-3-phenoxyaniline
CID 90688975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine (CID 104531681) is 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine is Brc1cncc(Nc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine?
The InChIKey is QRTUHBNOBGBHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-13-9-15(12-19-11-13)20-14-5-4-8-17(10-14)21-16-6-2-1-3-7-16/h1-12,20H.
What are the key properties of 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine?
5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine has a molecular weight of 341.21 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 104531681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).