4-[bromo(phenyl)methyl]pyridine

C12H10BrN — CID 43608201

IUPAC4-[bromo(phenyl)methyl]pyridine
SMILESBrC(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H10BrN/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9,12H
InChIKeyZYOBOBDHSOEMSD-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.57
Rot. Bonds2

About 4-[bromo(phenyl)methyl]pyridine

4-[bromo(phenyl)methyl]pyridine (PubChem CID 43608201) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 4-[bromo(phenyl)methyl]pyridine.

Molecular Properties

Compound Name4-[bromo(phenyl)methyl]pyridine
PubChem CID43608201
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name4-[bromo(phenyl)methyl]pyridine
SMILESBrC(c1ccccc1)c1ccncc1
InChIInChI=1S/C12H10BrN/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9,12H
InChIKeyZYOBOBDHSOEMSD-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 53.57
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

4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-benzhydrylpyridine;ethane
CID 90843990
4-[(1S,2S)-1,2-dibromo-2-pyridin-4-ylethyl]pyridine
CID 129396706
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
trimethyl-(2-phenyl-2-pyridin-4-ylethyl)silane
CID 132534673
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
4-[methylsulfonyl(phenyl)methyl]pyridine
CID 11543303
4-[nitro(phenyl)methyl]pyridine
CID 20978505

Frequently Asked Questions

What is the IUPAC name of 4-[bromo(phenyl)methyl]pyridine?
The IUPAC name of 4-[bromo(phenyl)methyl]pyridine (CID 43608201) is 4-[bromo(phenyl)methyl]pyridine.
What is the SMILES notation for 4-[bromo(phenyl)methyl]pyridine?
The canonical SMILES for 4-[bromo(phenyl)methyl]pyridine is BrC(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-[bromo(phenyl)methyl]pyridine?
The InChIKey is ZYOBOBDHSOEMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9,12H.
What are the key properties of 4-[bromo(phenyl)methyl]pyridine?
4-[bromo(phenyl)methyl]pyridine has a molecular weight of 248.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(phenyl)methyl]pyridine is sourced from PubChem (CID 43608201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).