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

C7H3ClF3NO2 — CID 164520830

IUPAC6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(Cl)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)1-3(2-13)6(14)12-5/h1-2H,(H,12,14)
InChIKeyWJWQYNMPKIUYPM-UHFFFAOYSA-N
MW225.55 g/mol
LogP1.86
Rot. Bonds1

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

6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (PubChem CID 164520830) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
PubChem CID164520830
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c(Cl)[nH]c1=O
InChIInChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)1-3(2-13)6(14)12-5/h1-2H,(H,12,14)
InChIKeyWJWQYNMPKIUYPM-UHFFFAOYSA-N
XLogP1.86
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 51.86
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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Related Compounds

6-Chlorodifluoromethyl-2-hydroxynicotinamide
CID 86756193
6-Bromo-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118995701
6-Amino-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118998642
2-Chloro-4-(difluoromethyl)-6-hydroxynicotinaldehyde
CID 119001237
6-Chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-ol
CID 119002217
2-Chloro-3-(difluoromethyl)-6-hydroxyisonicotinaldehyde
CID 119011405
6-Chloro-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 119017353
2-Chloro-5-(difluoromethyl)-6-hydroxynicotinaldehyde
CID 119023480
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072624
6-chloro-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072795
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
CID 130079620
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carbaldehyde
CID 130079639

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde (CID 164520830) is 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is O=Cc1cc(C(F)(F)F)c(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
The InChIKey is WJWQYNMPKIUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)1-3(2-13)6(14)12-5/h1-2H,(H,12,14).
What are the key properties of 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde?
6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde has a molecular weight of 225.55 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 164520830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).