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

C7H4BrF2NO2 — CID 118828957

IUPAC4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-3-1-5(13)11-4(2-12)6(3)7(9)10/h1-2,7H,(H,11,13)
InChIKeyMCADSNSJCBAIMJ-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.89
Rot. Bonds2

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

4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118828957) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118828957
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-3-1-5(13)11-4(2-12)6(3)7(9)10/h1-2,7H,(H,11,13)
InChIKeyMCADSNSJCBAIMJ-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'}

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Related Compounds

6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130110384
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494
5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101695
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
CID 118799535
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
4-bromo-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 163388467

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 118828957) is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is MCADSNSJCBAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-3-1-5(13)11-4(2-12)6(3)7(9)10/h1-2,7H,(H,11,13).
What are the key properties of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
4-bromo-3-(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 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118828957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).