3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine

C9H10BrF2NO — CID 130087813

IUPAC3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
SMILESCOc1cnc(C(F)F)c(CBr)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-6(3-10)8(9(11)12)13-4-7(5)14-2/h4,9H,3H2,1-2H3
InChIKeyHMBASGHJIPCXDV-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.23
Rot. Bonds3

About 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine

3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine (PubChem CID 130087813) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
PubChem CID130087813
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
SMILESCOc1cnc(C(F)F)c(CBr)c1C
InChIInChI=1S/C9H10BrF2NO/c1-5-6(3-10)8(9(11)12)13-4-7(5)14-2/h4,9H,3H2,1-2H3
InChIKeyHMBASGHJIPCXDV-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 53.23
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

3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carboxamide
CID 118809416

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine (CID 130087813) is 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine is COc1cnc(C(F)F)c(CBr)c1C.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine?
The InChIKey is HMBASGHJIPCXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-6(3-10)8(9(11)12)13-4-7(5)14-2/h4,9H,3H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine?
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine has a molecular weight of 266.08 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine is sourced from PubChem (CID 130087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).