3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride

C11H14ClNO3 — CID 90075769

IUPAC3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
SMILESCCCCOc1c(C(=O)Cl)ccn(C)c1=O
InChIInChI=1S/C11H14ClNO3/c1-3-4-7-16-9-8(10(12)14)5-6-13(2)11(9)15/h5-6H,3-4,7H2,1-2H3
InChIKeyYSWVDLUSQCYVPT-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.94
Rot. Bonds5

About 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride

3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride (PubChem CID 90075769) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
PubChem CID90075769
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
SMILESCCCCOc1c(C(=O)Cl)ccn(C)c1=O
InChIInChI=1S/C11H14ClNO3/c1-3-4-7-16-9-8(10(12)14)5-6-13(2)11(9)15/h5-6H,3-4,7H2,1-2H3
InChIKeyYSWVDLUSQCYVPT-UHFFFAOYSA-N
XLogP1.94
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethylamino)ethyl]-3-butoxy-1-methyl-2-oxopyridine-4-carboxamide
CID 70891250
ethyl 3-butoxy-1-(2-butoxyethyl)-2-oxopyridine-4-carboxylate
CID 118016887
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018
4-butoxy-3,5-dichlorobenzoyl chloride
CID 87280604
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
3-butoxy-1-(2-butoxyethyl)-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridin-2-one
CID 118016886
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
4-butoxy-2,3,5,6-tetrafluorobenzoic acid
CID 4771143
4-butoxy-1-methylindole-5-carbaldehyde
CID 89426925

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride?
The IUPAC name of 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride (CID 90075769) is 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride.
What is the SMILES notation for 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride?
The canonical SMILES for 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride is CCCCOc1c(C(=O)Cl)ccn(C)c1=O.
What is the InChIKey of 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride?
The InChIKey is YSWVDLUSQCYVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-4-7-16-9-8(10(12)14)5-6-13(2)11(9)15/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride?
3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride has a molecular weight of 243.69 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride is sourced from PubChem (CID 90075769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).