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

C7H4BrF2NO2 — CID 130110399

IUPAC3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF2NO2/c8-6-3(7(9)10)1-5(13)11-4(6)2-12/h1-2,7H,(H,11,13)
InChIKeyCOKICNDRVYTUIE-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.89
Rot. Bonds2

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

3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130110399) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130110399
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF2NO2/c8-6-3(7(9)10)1-5(13)11-4(6)2-12/h1-2,7H,(H,11,13)
InChIKeyCOKICNDRVYTUIE-UHFFFAOYSA-N
XLogP1.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
4-(Difluoromethyl)-6-hydroxy-3-iodopicolinaldehyde
CID 118812846
4-(Bromomethyl)-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118812957
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-carboxaldehyde
CID 118814980
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-Bromo-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118834575
4-Bromo-3-(difluoromethyl)-6-hydroxy-2-methylpyridine
CID 118838652
4-(Difluoromethyl)-6-hydroxypicolinaldehyde
CID 118840637

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 130110399) is 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)cc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is COKICNDRVYTUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-6-3(7(9)10)1-5(13)11-4(6)2-12/h1-2,7H,(H,11,13).
What are the key properties of 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 252.01 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130110399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).