2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine

C13H11BrClNO — CID 112549915

IUPAC2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
SMILESCc1cccnc1COc1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO/c1-9-3-2-6-16-12(9)8-17-13-7-10(14)4-5-11(13)15/h2-7H,8H2,1H3
InChIKeyKYXGPLZXLKLYHT-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.38
Rot. Bonds3

About 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine

2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine (PubChem CID 112549915) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
PubChem CID112549915
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
SMILESCc1cccnc1COc1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO/c1-9-3-2-6-16-12(9)8-17-13-7-10(14)4-5-11(13)15/h2-7H,8H2,1H3
InChIKeyKYXGPLZXLKLYHT-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 112549798
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine?
The IUPAC name of 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine (CID 112549915) is 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine?
The canonical SMILES for 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine is Cc1cccnc1COc1cc(Br)ccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine?
The InChIKey is KYXGPLZXLKLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-3-2-6-16-12(9)8-17-13-7-10(14)4-5-11(13)15/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine?
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine has a molecular weight of 312.59 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine is sourced from PubChem (CID 112549915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).