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

C8H7F2NO3 — CID 118806957

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

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

4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 118806957) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID118806957
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde
SMILESCOc1c(C(F)F)cc(=O)[nH]c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-7-4(8(9)10)2-6(13)11-5(7)3-12/h2-3,8H,1H3,(H,11,13)
InChIKeyUWBMFJGQMFLAFQ-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

2-(Difluoromethyl)-6-hydroxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 118803603
4-(fluoromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118806094
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethoxy)picolinaldehyde
CID 118807204
4-(Fluoromethyl)-6-hydroxy-3-(trifluoromethoxy)picolinaldehyde
CID 118811740
2-(Difluoromethyl)-6-hydroxy-4-methoxypyridine-3-carboxaldehyde
CID 118820544
4-(Difluoromethyl)-6-hydroxy-3-methylpicolinaldehyde
CID 118829350
4-(Difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridin-2-ol
CID 118829782
2-(Bromomethyl)-4-(difluoromethyl)-6-hydroxy-3-methoxypyridine
CID 118832675
4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834640
2-(Difluoromethyl)-6-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxaldehyde
CID 118837422
4-(Difluoromethyl)-5-methoxy-6-methylpyridin-2-ol
CID 118839857
4-(Difluoromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridin-2-ol
CID 118839871

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde (CID 118806957) is 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde is COc1c(C(F)F)cc(=O)[nH]c1C=O.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is UWBMFJGQMFLAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-7-4(8(9)10)2-6(13)11-5(7)3-12/h2-3,8H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde?
4-(difluoromethyl)-3-methoxy-6-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 4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118806957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).