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

C8H7F2NO3 — CID 130083468

IUPAC5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)c[nH]c(=O)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-6-4(7(9)10)2-11-8(13)5(6)3-12/h2-3,7H,1H3,(H,11,13)
InChIKeyOCAPPESFGMIFTF-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.13
Rot. Bonds3

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

5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130083468) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130083468
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)c[nH]c(=O)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-6-4(7(9)10)2-11-8(13)5(6)3-12/h2-3,7H,1H3,(H,11,13)
InChIKeyOCAPPESFGMIFTF-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

3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 119000477
5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
5-(chloromethyl)-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085199

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 130083468) is 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is COc1c(C(F)F)c[nH]c(=O)c1C=O.
What is the InChIKey of 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is OCAPPESFGMIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-6-4(7(9)10)2-11-8(13)5(6)3-12/h2-3,7H,1H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde?
5-(difluoromethyl)-4-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 5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130083468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).