4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde

C9H8BrF2NO2 — CID 118807298

IUPAC4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)c(CBr)c1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-15-9-7(8(11)12)6(2-10)5(4-14)3-13-9/h3-4,8H,2H2,1H3
InChIKeyIKDBEXORMYXCLZ-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.74
Rot. Bonds4

About 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde

4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde (PubChem CID 118807298) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
PubChem CID118807298
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(C=O)c(CBr)c1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-15-9-7(8(11)12)6(2-10)5(4-14)3-13-9/h3-4,8H,2H2,1H3
InChIKeyIKDBEXORMYXCLZ-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
CID 130083465
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
CID 163233411
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde (CID 118807298) is 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde is COc1ncc(C=O)c(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The InChIKey is IKDBEXORMYXCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-15-9-7(8(11)12)6(2-10)5(4-14)3-13-9/h3-4,8H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde has a molecular weight of 280.07 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 118807298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).