2-bromo-6-[(3-methoxyphenyl)methyl]pyridine

C13H12BrNO — CID 54045863

IUPAC2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
SMILESCOc1cccc(Cc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrNO/c1-16-12-6-2-4-10(9-12)8-11-5-3-7-13(14)15-11/h2-7,9H,8H2,1H3
InChIKeyLPNXDBMFHVNWAK-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.44
Rot. Bonds3

About 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine

2-bromo-6-[(3-methoxyphenyl)methyl]pyridine (PubChem CID 54045863) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
PubChem CID54045863
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
SMILESCOc1cccc(Cc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrNO/c1-16-12-6-2-4-10(9-12)8-11-5-3-7-13(14)15-11/h2-7,9H,8H2,1H3
InChIKeyLPNXDBMFHVNWAK-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine
CID 158429646
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
5-bromo-2-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479173
CID 87640434
CID 87640434
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine?
The IUPAC name of 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine (CID 54045863) is 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine?
The canonical SMILES for 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine is COc1cccc(Cc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine?
The InChIKey is LPNXDBMFHVNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-16-12-6-2-4-10(9-12)8-11-5-3-7-13(14)15-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine?
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine has a molecular weight of 278.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-methoxyphenyl)methyl]pyridine is sourced from PubChem (CID 54045863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).