2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine

C14H12BrF2NO — CID 79168878

IUPAC2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2ccc(F)cc2F)c(CBr)n1
InChIInChI=1S/C14H12BrF2NO/c1-9-2-5-14(13(7-15)18-9)19-8-10-3-4-11(16)6-12(10)17/h2-6H,7-8H2,1H3
InChIKeyZIBFFJDBNOJOMT-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.14
Rot. Bonds4

About 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine

2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine (PubChem CID 79168878) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
PubChem CID79168878
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2ccc(F)cc2F)c(CBr)n1
InChIInChI=1S/C14H12BrF2NO/c1-9-2-5-14(13(7-15)18-9)19-8-10-3-4-11(16)6-12(10)17/h2-6H,7-8H2,1H3
InChIKeyZIBFFJDBNOJOMT-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.14
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

1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713
2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164686
2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine (CID 79168878) is 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine is Cc1ccc(OCc2ccc(F)cc2F)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine?
The InChIKey is ZIBFFJDBNOJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-9-2-5-14(13(7-15)18-9)19-8-10-3-4-11(16)6-12(10)17/h2-6H,7-8H2,1H3.
What are the key properties of 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine?
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine has a molecular weight of 328.16 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79168878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).