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

C7H4F2INO2 — CID 118829781

IUPAC4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(=O)[nH]c1I
InChIInChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1-2,6H,(H,11,13)
InChIKeyGELPKVAGAWNYKD-UHFFFAOYSA-N
MW299.01 g/mol
LogP1.73
Rot. Bonds2

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

4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118829781) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118829781
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc(=O)[nH]c1I
InChIInChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1-2,6H,(H,11,13)
InChIKeyGELPKVAGAWNYKD-UHFFFAOYSA-N
XLogP1.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 51.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
CID 118811667
4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbaldehyde
CID 118818290
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
5-(difluoromethyl)-6-iodo-4-nitro-1H-pyridin-2-one
CID 130082573
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde (CID 118829781) is 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)cc(=O)[nH]c1I.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is GELPKVAGAWNYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-6(9)3-1-5(13)11-7(10)4(3)2-12/h1-2,6H,(H,11,13).
What are the key properties of 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 299.01 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118829781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).