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

C7H4ClF2NO2 — CID 130072642

IUPAC5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyFTXILYLGSIKNKJ-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

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

5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130072642) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130072642
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13)
InChIKeyFTXILYLGSIKNKJ-UHFFFAOYSA-N
XLogP1.78
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130085199
5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130072646
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130085194
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084848
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 130072642) is 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)c(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is FTXILYLGSIKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1-2,6H,(H,11,13).
What are the key properties of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 207.56 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130072642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).