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

C8H6BrF2NO2 — CID 118812957

IUPAC4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(CBr)c1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c9-2-4-1-6(14)12-5(3-13)7(4)8(10)11/h1,3,8H,2H2,(H,12,14)
InChIKeyNGNKAHMWHMBBBA-UHFFFAOYSA-N
MW266.04 g/mol
LogP2.02
Rot. Bonds3

About 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde

4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118812957) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118812957
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(CBr)c1C(F)F
InChIInChI=1S/C8H6BrF2NO2/c9-2-4-1-6(14)12-5(3-13)7(4)8(10)11/h1,3,8H,2H2,(H,12,14)
InChIKeyNGNKAHMWHMBBBA-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

6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
4-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704145
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 118807216
4-(Bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-ol
CID 118807312
4-(Difluoromethyl)-6-hydroxy-3-iodopicolinaldehyde
CID 118812846
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinaldehyde
CID 118818290
4-Bromo-2-(difluoromethyl)-6-hydroxynicotinaldehyde
CID 118828866
4-Bromo-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118828957
4-(Difluoromethyl)-6-hydroxy-3-methylpicolinaldehyde
CID 118829350
2-(Bromomethyl)-5-(difluoromethyl)-6-hydroxypyridine-3-carboxaldehyde
CID 118832726
4-(Difluoromethyl)-6-hydroxypicolinaldehyde
CID 118840637
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethyl)picolinaldehyde
CID 118840827

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 118812957) is 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is NGNKAHMWHMBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-2-4-1-6(14)12-5(3-13)7(4)8(10)11/h1,3,8H,2H2,(H,12,14).
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-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 4-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).