6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde

C16H16ClNO3 — CID 82517213

IUPAC6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
SMILESCCCn1c(-c2cc(Cl)ccc2OC)ccc(C=O)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyRAFNYIKMSVDKMC-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.40
Rot. Bonds5

About 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde

6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde (PubChem CID 82517213) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
PubChem CID82517213
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
SMILESCCCn1c(-c2cc(Cl)ccc2OC)ccc(C=O)c1=O
InChIInChI=1S/C16H16ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9-10H,3,8H2,1-2H3
InChIKeyRAFNYIKMSVDKMC-UHFFFAOYSA-N
XLogP3.40
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82519097
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
CID 82518930
6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde (CID 82517213) is 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde is CCCn1c(-c2cc(Cl)ccc2OC)ccc(C=O)c1=O.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde?
The InChIKey is RAFNYIKMSVDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde?
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde has a molecular weight of 305.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde is sourced from PubChem (CID 82517213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).