4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde

C8H7F2NO3 — CID 118812225

IUPAC4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1c[nH]c(=O)c(C=O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-5-2-11-8(13)4(3-12)6(5)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyILABCDONHXPIBX-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.13
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde

4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118812225) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118812225
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1c[nH]c(=O)c(C=O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-5-2-11-8(13)4(3-12)6(5)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyILABCDONHXPIBX-UHFFFAOYSA-N
XLogP1.13
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridin-2-ol
CID 118801357
4-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118812923
4-(Difluoromethyl)-5-methoxy-3-methylpyridin-2-ol
CID 118817558
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridin-2-ol
CID 118818291
4-(Difluoromethyl)-2-hydroxy-5-methoxynicotinamide
CID 118823197
4-Cyano-3-(difluoromethyl)-2-hydroxy-5-methoxypyridine
CID 118827433
4-(Difluoromethyl)-3-fluoro-5-methoxypyridin-2-ol
CID 118828921
4-(Difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-ol
CID 118829514
4-(Aminomethyl)-3-(difluoromethyl)-5-methoxypyridin-2-ol
CID 118829902
4-(Difluoromethyl)-2-hydroxy-5-methylnicotinaldehyde
CID 118834795
4-(Difluoromethyl)-2,5-dihydroxynicotinaldehyde
CID 118840060
4-(Difluoromethyl)-2-hydroxy-5-(trifluoromethoxy)nicotinaldehyde
CID 118845710

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 118812225) is 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is COc1c[nH]c(=O)c(C=O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ILABCDONHXPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-5-2-11-8(13)4(3-12)6(5)7(9)10/h2-3,7H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 203.14 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118812225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).