4-benzyl-2-bromo-3-methylpyridine

C13H12BrN — CID 175801806

IUPAC4-benzyl-2-bromo-3-methylpyridine
SMILESCc1c(Cc2ccccc2)ccnc1Br
InChIInChI=1S/C13H12BrN/c1-10-12(7-8-15-13(10)14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFTMDPCQUOWTCLD-UHFFFAOYSA-N
MW262.15 g/mol
LogP3.74
Rot. Bonds2

About 4-benzyl-2-bromo-3-methylpyridine

4-benzyl-2-bromo-3-methylpyridine (PubChem CID 175801806) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-benzyl-2-bromo-3-methylpyridine.

Molecular Properties

Compound Name4-benzyl-2-bromo-3-methylpyridine
PubChem CID175801806
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name4-benzyl-2-bromo-3-methylpyridine
SMILESCc1c(Cc2ccccc2)ccnc1Br
InChIInChI=1S/C13H12BrN/c1-10-12(7-8-15-13(10)14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFTMDPCQUOWTCLD-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.74
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

(4-benzyl-2,3-dimethylphenyl)azanium chloride
CID 21115446
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
tris(3-benzyl-2,6-dimethylphenyl)-chlorosilane
CID 88962705
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
3-benzyl-2-chloropyridine
CID 22768075
benzylbenzene;methoxymethane
CID 161110966
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
8-benzyl-5-bromoquinoline
CID 53421162
5-benzyl-4-chloro-2-methylpyrimidine
CID 117260664

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-bromo-3-methylpyridine?
The IUPAC name of 4-benzyl-2-bromo-3-methylpyridine (CID 175801806) is 4-benzyl-2-bromo-3-methylpyridine.
What is the SMILES notation for 4-benzyl-2-bromo-3-methylpyridine?
The canonical SMILES for 4-benzyl-2-bromo-3-methylpyridine is Cc1c(Cc2ccccc2)ccnc1Br.
What is the InChIKey of 4-benzyl-2-bromo-3-methylpyridine?
The InChIKey is FTMDPCQUOWTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-10-12(7-8-15-13(10)14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 4-benzyl-2-bromo-3-methylpyridine?
4-benzyl-2-bromo-3-methylpyridine has a molecular weight of 262.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-bromo-3-methylpyridine is sourced from PubChem (CID 175801806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).