4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde

C8H6ClF2NO2 — CID 177238848

IUPAC4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1
InChIInChI=1S/C8H6ClF2NO2/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6/h2-3H,1H3,(H,12,14)
InChIKeyKEFPLDHNXKMBDF-UHFFFAOYSA-N
MW221.59 g/mol
LogP1.95
Rot. Bonds2

About 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde

4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 177238848) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID177238848
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1
InChIInChI=1S/C8H6ClF2NO2/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6/h2-3H,1H3,(H,12,14)
InChIKeyKEFPLDHNXKMBDF-UHFFFAOYSA-N
XLogP1.95
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 51.95
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

2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinamide
CID 14043512
6-(1-Chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828248
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 77231446
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86624095
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
CID 177238847
4-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde;ethane;methoxyethane
CID 177239458
4-chloro-6-(1,1-difluoroethyl)-3-methyl-1H-pyridin-2-one;ethyl formate
CID 177239515
4-(Difluoromethyl)-2-hydroxy-6-(trifluoromethyl)nicotinaldehyde
CID 118812457
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carbonyl chloride
CID 118814881
2-(Chloromethyl)-3-(difluoromethyl)-6-hydroxypyridine-5-carboxaldehyde
CID 118815743
4-(Difluoromethyl)-6-hydroxy-5-methylpicolinaldehyde
CID 118818290
2-(Difluoromethyl)-6-hydroxy-3-methylpyridine-5-carboxaldehyde
CID 118820604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 177238848) is 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde is CC(F)(F)c1cc(Cl)c(C=O)c(=O)[nH]1.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is KEFPLDHNXKMBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-8(10,11)6-2-5(9)4(3-13)7(14)12-6/h2-3H,1H3,(H,12,14).
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 221.59 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 177238848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).