1,1'-biphenyl;2-bromopyridine

C17H14BrN — CID 175532742

IUPAC1,1'-biphenyl;2-bromopyridine
SMILESBrc1ccccn1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H4BrN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10H;1-4H
InChIKeyMFKMQGOZCASCST-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.20
Rot. Bonds1

About 1,1'-biphenyl;2-bromopyridine

1,1'-biphenyl;2-bromopyridine (PubChem CID 175532742) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 1,1'-biphenyl;2-bromopyridine.

Molecular Properties

Compound Name1,1'-biphenyl;2-bromopyridine
PubChem CID175532742
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name1,1'-biphenyl;2-bromopyridine
SMILESBrc1ccccn1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H4BrN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10H;1-4H
InChIKeyMFKMQGOZCASCST-UHFFFAOYSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
potassium;2-bromopyridine;hydride
CID 173115225
2-bromopyridine;N,N-diphenylaniline
CID 175451382
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174
benzene;tris(1,1'-biphenyl)
CID 162155747
2-phenylpyrimidine
CID 593578
hydrazine;2-phenylpyridine
CID 158673997
6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121383405
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-bromopyridine?
The IUPAC name of 1,1'-biphenyl;2-bromopyridine (CID 175532742) is 1,1'-biphenyl;2-bromopyridine.
What is the SMILES notation for 1,1'-biphenyl;2-bromopyridine?
The canonical SMILES for 1,1'-biphenyl;2-bromopyridine is Brc1ccccn1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-bromopyridine?
The InChIKey is MFKMQGOZCASCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C5H4BrN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10H;1-4H.
What are the key properties of 1,1'-biphenyl;2-bromopyridine?
1,1'-biphenyl;2-bromopyridine has a molecular weight of 312.21 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-bromopyridine is sourced from PubChem (CID 175532742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).