2-bromopyridine;N,N-diphenylaniline

C23H19BrN2 — CID 175451382

IUPAC2-bromopyridine;N,N-diphenylaniline
SMILESBrc1ccccn1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C5H4BrN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5/h1-15H;1-4H
InChIKeyJBWROLPIAKANBR-UHFFFAOYSA-N
MW403.32 g/mol
LogP7.00
Rot. Bonds3

About 2-bromopyridine;N,N-diphenylaniline

2-bromopyridine;N,N-diphenylaniline (PubChem CID 175451382) has the molecular formula C23H19BrN2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-bromopyridine;N,N-diphenylaniline.

Molecular Properties

Compound Name2-bromopyridine;N,N-diphenylaniline
PubChem CID175451382
Molecular FormulaC23H19BrN2
Molecular Weight403.32 g/mol
Exact Mass402.07
IUPAC Name2-bromopyridine;N,N-diphenylaniline
SMILESBrc1ccccn1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C5H4BrN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5/h1-15H;1-4H
InChIKeyJBWROLPIAKANBR-UHFFFAOYSA-N
XLogP7.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo(212C)pyridine
CID 126713665
magnesium;2-bromopyridine;dichloride
CID 174775023
1,1'-biphenyl;2-bromopyridine
CID 175532742
potassium;2-bromopyridine;hydride
CID 173115225
N,N-diphenylaniline;pyridazine
CID 175041243
N,N-diphenylaniline;silane
CID 131739129
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121383405
N,N-diphenylaniline;triazine
CID 157284330
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;N,N-diphenylaniline?
The IUPAC name of 2-bromopyridine;N,N-diphenylaniline (CID 175451382) is 2-bromopyridine;N,N-diphenylaniline.
What is the SMILES notation for 2-bromopyridine;N,N-diphenylaniline?
The canonical SMILES for 2-bromopyridine;N,N-diphenylaniline is Brc1ccccn1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-bromopyridine;N,N-diphenylaniline?
The InChIKey is JBWROLPIAKANBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C5H4BrN/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6-5-3-1-2-4-7-5/h1-15H;1-4H.
What are the key properties of 2-bromopyridine;N,N-diphenylaniline?
2-bromopyridine;N,N-diphenylaniline has a molecular weight of 403.32 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;N,N-diphenylaniline is sourced from PubChem (CID 175451382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).