6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

C7H4ClF2NO3 — CID 177238827

IUPAC6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5/h1-2H,(H2,11,13,14)
InChIKeyWODYZLKIOORVBV-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.18
Rot. Bonds2

About 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 177238827) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID177238827
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5/h1-2H,(H2,11,13,14)
InChIKeyWODYZLKIOORVBV-UHFFFAOYSA-N
XLogP1.18
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.56
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 177238827) is 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(O)cc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is WODYZLKIOORVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-7(9,10)5-1-4(13)3(2-12)6(14)11-5/h1-2H,(H2,11,13,14).
What are the key properties of 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 223.56 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 177238827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).