3-bromo-3-phenyl-2H-pyridine

C11H10BrN — CID 18934767

IUPAC3-bromo-3-phenyl-2H-pyridine
SMILESBrC1(c2ccccc2)C=CC=NC1
InChIInChI=1S/C11H10BrN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCOZUPSBTUFDQRC-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.92
Rot. Bonds1

About 3-bromo-3-phenyl-2H-pyridine

3-bromo-3-phenyl-2H-pyridine (PubChem CID 18934767) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-bromo-3-phenyl-2H-pyridine.

Molecular Properties

Compound Name3-bromo-3-phenyl-2H-pyridine
PubChem CID18934767
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-bromo-3-phenyl-2H-pyridine
SMILESBrC1(c2ccccc2)C=CC=NC1
InChIInChI=1S/C11H10BrN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCOZUPSBTUFDQRC-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-phenyl-2H-pyridin-3-yl)prop-2-enoic acid
CID 151637741
3-bromo-3-chloro-2H-pyridine
CID 66986332
5-bromo-2-chloro-5-phenylcyclohexa-1,3-diene
CID 67981012
(E)-3-[3-(2-chlorophenyl)-2H-pyridin-3-yl]prop-2-enoic acid
CID 174397848
5-bromo-5-phenylcyclohexa-1,3-diene-1-carboximidamide
CID 23156116
5,5-diphenyl-1,4-dihydroimidazole
CID 87697574
3-[3-[2-[3-[2-(3-pyridin-3-yl-2H-pyridin-3-yl)phenyl]phenyl]phenyl]-2H-pyridin-3-yl]pyridine
CID 155668477
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
CID 46918541
[(3R)-3-fluoro-2H-pyridin-3-yl]methanol
CID 150772124
CID 157478328
CID 157478328
[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
CID 100969762
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3-phenyl-2H-pyridine?
The IUPAC name of 3-bromo-3-phenyl-2H-pyridine (CID 18934767) is 3-bromo-3-phenyl-2H-pyridine.
What is the SMILES notation for 3-bromo-3-phenyl-2H-pyridine?
The canonical SMILES for 3-bromo-3-phenyl-2H-pyridine is BrC1(c2ccccc2)C=CC=NC1.
What is the InChIKey of 3-bromo-3-phenyl-2H-pyridine?
The InChIKey is COZUPSBTUFDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 3-bromo-3-phenyl-2H-pyridine?
3-bromo-3-phenyl-2H-pyridine has a molecular weight of 236.11 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-phenyl-2H-pyridine is sourced from PubChem (CID 18934767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).