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

C7H4ClF2NO2 — CID 119017353

IUPAC6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-5-4(6(9)10)1-3(2-12)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyPMGPNCHCQCDWJC-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 119017353) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID119017353
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(Cl)[nH]c1=O
InChIInChI=1S/C7H4ClF2NO2/c8-5-4(6(9)10)1-3(2-12)7(13)11-5/h1-2,6H,(H,11,13)
InChIKeyPMGPNCHCQCDWJC-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 119017353) is 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is PMGPNCHCQCDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-5-4(6(9)10)1-3(2-12)7(13)11-5/h1-2,6H,(H,11,13).
What are the key properties of 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-chloro-5-(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 6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 119017353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).