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

C7H4BrF2NO2 — CID 118823004

IUPAC4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4BrF2NO2/c8-4-1-5(6(9)10)11-7(13)3(4)2-12/h1-2,6H,(H,11,13)
InChIKeyORZNVKMGHPVVEN-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.89
Rot. Bonds2

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

4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118823004) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118823004
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(Br)cc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4BrF2NO2/c8-4-1-5(6(9)10)11-7(13)3(4)2-12/h1-2,6H,(H,11,13)
InChIKeyORZNVKMGHPVVEN-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

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
2-(Difluoromethyl)-6-hydroxy-3-iodopyridine-5-carboxaldehyde
CID 118820794
4-Bromo-6-(difluoromethyl)-2-hydroxynicotinamide
CID 118828655
4-Amino-6-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118828840
4-Bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-ol
CID 118833882
4-Bromo-6-(difluoromethyl)-3-methylpyridin-2-ol
CID 118834378
4-Bromo-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118834575
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-5-carboxaldehyde
CID 118842995
4-Bromo-3-(difluoromethyl)-6-methylpyridin-2-ol
CID 118851457
5-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072636
4-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 118823004) is 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(Br)cc(C(F)F)[nH]c1=O.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ORZNVKMGHPVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-4-1-5(6(9)10)11-7(13)3(4)2-12/h1-2,6H,(H,11,13).
What are the key properties of 4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
4-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-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-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118823004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).