N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine

C16H12BrN3 — CID 11595025

IUPACN-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine
SMILESBrc1cccc(Nc2cncc(-c3ccncc3)c2)c1
InChIInChI=1S/C16H12BrN3/c17-14-2-1-3-15(9-14)20-16-8-13(10-19-11-16)12-4-6-18-7-5-12/h1-11,20H
InChIKeyUBOMRLPHVBMOBO-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.65
Rot. Bonds3

About N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine

N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine (PubChem CID 11595025) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine
PubChem CID11595025
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC NameN-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine
SMILESBrc1cccc(Nc2cncc(-c3ccncc3)c2)c1
InChIInChI=1S/C16H12BrN3/c17-14-2-1-3-15(9-14)20-16-8-13(10-19-11-16)12-4-6-18-7-5-12/h1-11,20H
InChIKeyUBOMRLPHVBMOBO-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3-bromophenyl)pyridine-3,5-diamine
CID 104532361
N-(3-bromophenyl)-5-quinolin-8-ylpyridin-3-amine
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5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
3-bromo-N-phenylaniline
CID 14958606
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
5-bromo-N-(3-phenoxyphenyl)pyridin-3-amine
CID 104531681
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
6-N-(3-bromophenyl)isoquinoline-5,6-diamine
CID 106947573
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine?
The IUPAC name of N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine (CID 11595025) is N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine?
The canonical SMILES for N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine is Brc1cccc(Nc2cncc(-c3ccncc3)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine?
The InChIKey is UBOMRLPHVBMOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-14-2-1-3-15(9-14)20-16-8-13(10-19-11-16)12-4-6-18-7-5-12/h1-11,20H.
What are the key properties of N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine?
N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine has a molecular weight of 326.20 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-pyridin-4-ylpyridin-3-amine is sourced from PubChem (CID 11595025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).