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

C8H7F2NO3 — CID 118831886

IUPAC6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCOc1c(C(F)F)[nH]c(C=O)cc1=O
InChIInChI=1S/C8H7F2NO3/c1-14-7-5(13)2-4(3-12)11-6(7)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyCQRIVRWNNHVWMB-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.13
Rot. Bonds3

About 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde

6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118831886) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118831886
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCOc1c(C(F)F)[nH]c(C=O)cc1=O
InChIInChI=1S/C8H7F2NO3/c1-14-7-5(13)2-4(3-12)11-6(7)8(9)10/h2-3,8H,1H3,(H,11,13)
InChIKeyCQRIVRWNNHVWMB-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde (CID 118831886) is 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde is COc1c(C(F)F)[nH]c(C=O)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is CQRIVRWNNHVWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-7-5(13)2-4(3-12)11-6(7)8(9)10/h2-3,8H,1H3,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde?
6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-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 6-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118831886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).