1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde

C16H17NO3 — CID 82518296

IUPAC1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
SMILESCC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C)c1
InChIInChI=1S/C16H17NO3/c1-11(2)20-14-6-4-5-12(9-14)15-8-7-13(10-18)16(19)17(15)3/h4-11H,1-3H3
InChIKeyOKZHKYTUUBRFJO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds4

About 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde

1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde (PubChem CID 82518296) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
PubChem CID82518296
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
SMILESCC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C)c1
InChIInChI=1S/C16H17NO3/c1-11(2)20-14-6-4-5-12(9-14)15-8-7-13(10-18)16(19)17(15)3/h4-11H,1-3H3
InChIKeyOKZHKYTUUBRFJO-UHFFFAOYSA-N
XLogP2.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
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

2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
(E)-3-[6-(3-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82518392
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82517559
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde (CID 82518296) is 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde is CC(C)Oc1cccc(-c2ccc(C=O)c(=O)n2C)c1.
What is the InChIKey of 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is OKZHKYTUUBRFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)20-14-6-4-5-12(9-14)15-8-7-13(10-18)16(19)17(15)3/h4-11H,1-3H3.
What are the key properties of 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde?
1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82518296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).