3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine

C14H12BrClFNO — CID 79168706

IUPAC3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
SMILESCc1ccc(OCc2cc(Br)ccc2F)c(CCl)n1
InChIInChI=1S/C14H12BrClFNO/c1-9-2-5-14(13(7-16)18-9)19-8-10-6-11(15)3-4-12(10)17/h2-6H,7-8H2,1H3
InChIKeyAOJPESLPFMVJAV-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.61
Rot. Bonds4

About 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine

3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine (PubChem CID 79168706) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
PubChem CID79168706
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
SMILESCc1ccc(OCc2cc(Br)ccc2F)c(CCl)n1
InChIInChI=1S/C14H12BrClFNO/c1-9-2-5-14(13(7-16)18-9)19-8-10-6-11(15)3-4-12(10)17/h2-6H,7-8H2,1H3
InChIKeyAOJPESLPFMVJAV-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79157307
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
4-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 43095452
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine (CID 79168706) is 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine is Cc1ccc(OCc2cc(Br)ccc2F)c(CCl)n1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine?
The InChIKey is AOJPESLPFMVJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-9-2-5-14(13(7-16)18-9)19-8-10-6-11(15)3-4-12(10)17/h2-6H,7-8H2,1H3.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine?
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine has a molecular weight of 344.61 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine is sourced from PubChem (CID 79168706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).