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

C13H11BrClNO — CID 102881286

IUPAC3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
SMILESCc1cncc(COc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H11BrClNO/c1-9-4-10(7-16-6-9)8-17-13-5-11(14)2-3-12(13)15/h2-7H,8H2,1H3
InChIKeyRZJQVWLLIBXVAA-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.38
Rot. Bonds3

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

3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine (PubChem CID 102881286) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
PubChem CID102881286
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
SMILESCc1cncc(COc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H11BrClNO/c1-9-4-10(7-16-6-9)8-17-13-5-11(14)2-3-12(13)15/h2-7H,8H2,1H3
InChIKeyRZJQVWLLIBXVAA-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

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Related Compounds

(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
3-[(5-bromo-3-pyridinyl)methoxy]-4-chloroaniline
CID 104795936
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 102880334
1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
CID 102880408
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
N-[[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880396
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine?
The IUPAC name of 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine (CID 102881286) is 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine.
What is the SMILES notation for 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine?
The canonical SMILES for 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine is Cc1cncc(COc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine?
The InChIKey is RZJQVWLLIBXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-4-10(7-16-6-9)8-17-13-5-11(14)2-3-12(13)15/h2-7H,8H2,1H3.
What are the key properties of 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine?
3-[(5-bromo-2-chlorophenoxy)methyl]-5-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 3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine is sourced from PubChem (CID 102881286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).