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

C7H4ClF2NO2 — CID 130072646

IUPAC5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]cc(Cl)c(=O)c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-11-4(2-12)5(6(3)13)7(9)10/h1-2,7H,(H,11,13)
InChIKeyIPCZVMHSTGMJKC-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.78
Rot. Bonds2

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

5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130072646) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130072646
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]cc(Cl)c(=O)c1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-11-4(2-12)5(6(3)13)7(9)10/h1-2,7H,(H,11,13)
InChIKeyIPCZVMHSTGMJKC-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde (CID 130072646) is 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]cc(Cl)c(=O)c1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is IPCZVMHSTGMJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-3-1-11-4(2-12)5(6(3)13)7(9)10/h1-2,7H,(H,11,13).
What are the key properties of 5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde?
5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-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-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130072646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).