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

C7H4BrF2NO2 — CID 130110384

IUPAC6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(Br)cc(=O)c1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-5-1-4(13)6(7(9)10)3(2-12)11-5/h1-2,7H,(H,11,13)
InChIKeyQUTGTXRVEIFXNL-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.89
Rot. Bonds2

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

6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130110384) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130110384
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(Br)cc(=O)c1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-5-1-4(13)6(7(9)10)3(2-12)11-5/h1-2,7H,(H,11,13)
InChIKeyQUTGTXRVEIFXNL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957
2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 118992620
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
5-(difluoromethyl)-6-nitro-4-oxo-1H-pyridine-2-carbaldehyde
CID 130084413
methyl 6-bromo-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110469
3-(difluoromethyl)-6-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082831
4-amino-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118800770
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
CID 130099612

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (CID 130110384) is 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(Br)cc(=O)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is QUTGTXRVEIFXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-5-1-4(13)6(7(9)10)3(2-12)11-5/h1-2,7H,(H,11,13).
What are the key properties of 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
6-bromo-3-(difluoromethyl)-4-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 6-bromo-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130110384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).