5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde

C7H6ClNO2 — CID 105434991

IUPAC5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCn1cc(Cl)cc(C=O)c1=O
InChIInChI=1S/C7H6ClNO2/c1-9-3-6(8)2-5(4-10)7(9)11/h2-4H,1H3
InChIKeyVQUSFUZUNKIUGP-UHFFFAOYSA-N
MW171.58 g/mol
LogP0.85
Rot. Bonds1

About 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde

5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde (PubChem CID 105434991) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde
PubChem CID105434991
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde
SMILESCn1cc(Cl)cc(C=O)c1=O
InChIInChI=1S/C7H6ClNO2/c1-9-3-6(8)2-5(4-10)7(9)11/h2-4H,1H3
InChIKeyVQUSFUZUNKIUGP-UHFFFAOYSA-N
XLogP0.85
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-methyl-2-oxopyridine-3-carbaldehyde
CID 58259434
3,5-dichloro-1-methylpyridin-2-one
CID 18793483
6-bromo-2-methyl-1-oxoisoquinoline-4-carbaldehyde
CID 178046629
6-chloro-3-methylbenzimidazole-4-carbaldehyde
CID 83879166
1-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83872265
5-bromo-7-chloro-1-methylindole-3-carbaldehyde
CID 83489032
6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 82395234
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82519097
7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde
CID 155389012
5-ethyl-2-oxo-1-propylpyridine-3-carbaldehyde
CID 13169255
1,5-dimethylindole-3-carbaldehyde
CID 1419073
2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 131325149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde (CID 105434991) is 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde is Cn1cc(Cl)cc(C=O)c1=O.
What is the InChIKey of 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde?
The InChIKey is VQUSFUZUNKIUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-9-3-6(8)2-5(4-10)7(9)11/h2-4H,1H3.
What are the key properties of 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde?
5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde has a molecular weight of 171.58 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 105434991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).