4-(bromomethyl)-3-phenylpyridine

C12H10BrN — CID 118822650

IUPAC4-(bromomethyl)-3-phenylpyridine
SMILESBrCc1ccncc1-c1ccccc1
InChIInChI=1S/C12H10BrN/c13-8-11-6-7-14-9-12(11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyHZKNMBDEVSHXHT-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.64
Rot. Bonds2

About 4-(bromomethyl)-3-phenylpyridine

4-(bromomethyl)-3-phenylpyridine (PubChem CID 118822650) has the molecular formula C12H10BrN and a molecular weight of 248.12 g/mol. Its IUPAC name is 4-(bromomethyl)-3-phenylpyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-phenylpyridine
PubChem CID118822650
Molecular FormulaC12H10BrN
Molecular Weight248.12 g/mol
Exact Mass247.00
IUPAC Name4-(bromomethyl)-3-phenylpyridine
SMILESBrCc1ccncc1-c1ccccc1
InChIInChI=1S/C12H10BrN/c13-8-11-6-7-14-9-12(11)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyHZKNMBDEVSHXHT-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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

3-(bromomethyl)-5-phenylpyridin-4-amine
CID 131436682
4-ethyl-3-[4-ethyl-3-[4-[2-ethyl-5-(4-ethyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine
CID 59609426
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
3-(chloromethyl)-4-phenylpyridine
CID 130967396
[3-(3-methylphenyl)-4-pyridinyl]methanol
CID 130118995
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
CID 115824632
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
3-(bromomethyl)pyridin-4-amine
CID 18674607
4-butoxy-3-phenylpyridine
CID 91002416
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-phenylpyridine?
The IUPAC name of 4-(bromomethyl)-3-phenylpyridine (CID 118822650) is 4-(bromomethyl)-3-phenylpyridine.
What is the SMILES notation for 4-(bromomethyl)-3-phenylpyridine?
The canonical SMILES for 4-(bromomethyl)-3-phenylpyridine is BrCc1ccncc1-c1ccccc1.
What is the InChIKey of 4-(bromomethyl)-3-phenylpyridine?
The InChIKey is HZKNMBDEVSHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN/c13-8-11-6-7-14-9-12(11)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 4-(bromomethyl)-3-phenylpyridine?
4-(bromomethyl)-3-phenylpyridine has a molecular weight of 248.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-phenylpyridine is sourced from PubChem (CID 118822650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).