3-bromo-4-methyl-5-(phenoxymethyl)pyridine

C13H12BrNO — CID 57497997

IUPAC3-bromo-4-methyl-5-(phenoxymethyl)pyridine
SMILESCc1c(Br)cncc1COc1ccccc1
InChIInChI=1S/C13H12BrNO/c1-10-11(7-15-8-13(10)14)9-16-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeySABGQVLEXFSXCS-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-4-methyl-5-(phenoxymethyl)pyridine

3-bromo-4-methyl-5-(phenoxymethyl)pyridine (PubChem CID 57497997) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-(phenoxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-(phenoxymethyl)pyridine
PubChem CID57497997
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name3-bromo-4-methyl-5-(phenoxymethyl)pyridine
SMILESCc1c(Br)cncc1COc1ccccc1
InChIInChI=1S/C13H12BrNO/c1-10-11(7-15-8-13(10)14)9-16-12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeySABGQVLEXFSXCS-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
2-(5-bromo-4-methyl-3-pyridinyl)ethanamine
CID 83886537
1-bromo-2,3-difluoro-4-(phenoxymethyl)benzene
CID 67434406
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
2,3,7,8-tetrakis(phenoxymethyl)phenazine
CID 15048480
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
1-methyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216611
4-bromo-2-methoxy-1-(phenoxymethyl)benzene
CID 117219523
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
2-methyl-5-phenylmethoxypyrimidine
CID 59993103

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-(phenoxymethyl)pyridine?
The IUPAC name of 3-bromo-4-methyl-5-(phenoxymethyl)pyridine (CID 57497997) is 3-bromo-4-methyl-5-(phenoxymethyl)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-5-(phenoxymethyl)pyridine?
The canonical SMILES for 3-bromo-4-methyl-5-(phenoxymethyl)pyridine is Cc1c(Br)cncc1COc1ccccc1.
What is the InChIKey of 3-bromo-4-methyl-5-(phenoxymethyl)pyridine?
The InChIKey is SABGQVLEXFSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-10-11(7-15-8-13(10)14)9-16-12-5-3-2-4-6-12/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-4-methyl-5-(phenoxymethyl)pyridine?
3-bromo-4-methyl-5-(phenoxymethyl)pyridine has a molecular weight of 278.15 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-(phenoxymethyl)pyridine is sourced from PubChem (CID 57497997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).