2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

C8H6BrF2NO2 — CID 118832726

IUPAC2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(=O)[nH]c1CBr
InChIInChI=1S/C8H6BrF2NO2/c9-2-6-4(3-13)1-5(7(10)11)8(14)12-6/h1,3,7H,2H2,(H,12,14)
InChIKeyDRWWSOVBYCHGFH-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.02
Rot. Bonds3

About 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118832726) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118832726
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(=O)[nH]c1CBr
InChIInChI=1S/C8H6BrF2NO2/c9-2-6-4(3-13)1-5(7(10)11)8(14)12-6/h1,3,7H,2H2,(H,12,14)
InChIKeyDRWWSOVBYCHGFH-UHFFFAOYSA-N
XLogP2.02
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
2-(Difluoromethyl)-4-fluoro-6-hydroxypyridine-3-carboxaldehyde
CID 118803557
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-carboxaldehyde
CID 118803844
2-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine-3-carboxaldehyde
CID 118803864
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 118807216
4-(Difluoromethyl)-6-hydroxy-2-methylnicotinaldehyde
CID 118812647
4-(Bromomethyl)-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118812957
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-carboxaldehyde
CID 118814980
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinaldehyde
CID 118818290
2-(Chloromethyl)-5-(difluoromethyl)-6-hydroxypyridine-3-carboxaldehyde
CID 118820455

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 118832726) is 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(=O)[nH]c1CBr.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is DRWWSOVBYCHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-2-6-4(3-13)1-5(7(10)11)8(14)12-6/h1,3,7H,2H2,(H,12,14).
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 266.04 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118832726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).