1-butoxy-6-oxopyridine-2-carbonyl chloride

C10H12ClNO3 — CID 88864823

IUPAC1-butoxy-6-oxopyridine-2-carbonyl chloride
SMILESCCCCOn1c(C(=O)Cl)cccc1=O
InChIInChI=1S/C10H12ClNO3/c1-2-3-7-15-12-8(10(11)14)5-4-6-9(12)13/h4-6H,2-3,7H2,1H3
InChIKeyJCWOSSBMENAOJM-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.46
Rot. Bonds5

About 1-butoxy-6-oxopyridine-2-carbonyl chloride

1-butoxy-6-oxopyridine-2-carbonyl chloride (PubChem CID 88864823) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 1-butoxy-6-oxopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name1-butoxy-6-oxopyridine-2-carbonyl chloride
PubChem CID88864823
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name1-butoxy-6-oxopyridine-2-carbonyl chloride
SMILESCCCCOn1c(C(=O)Cl)cccc1=O
InChIInChI=1S/C10H12ClNO3/c1-2-3-7-15-12-8(10(11)14)5-4-6-9(12)13/h4-6H,2-3,7H2,1H3
InChIKeyJCWOSSBMENAOJM-UHFFFAOYSA-N
XLogP1.46
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.46
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

(2,5-dioxopyrrolidin-1-yl) 1-butoxy-6-oxopyridine-2-carboxylate
CID 89096080
dimethyl 1-butoxy-6-oxopyridine-2,5-dicarboxylate
CID 155657064
(4-tributylstannylphenyl)methyl 1-methyl-6-oxopyridine-2-carboxylate
CID 155782720
3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
CID 90075769
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018
acetic acid;butoxymethylbenzene
CID 139463153
dibutyl benzene-1,2-dicarboxylate
CID 69108201
acetic acid;butoxybenzene
CID 162338086
2,6-dibutoxypyridine
CID 67437244
2-butoxybenzene-1,3-diol
CID 101011168
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
1-pentoxy-4-phenylpyrrole-2-carboxylic acid
CID 142411494

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-6-oxopyridine-2-carbonyl chloride?
The IUPAC name of 1-butoxy-6-oxopyridine-2-carbonyl chloride (CID 88864823) is 1-butoxy-6-oxopyridine-2-carbonyl chloride.
What is the SMILES notation for 1-butoxy-6-oxopyridine-2-carbonyl chloride?
The canonical SMILES for 1-butoxy-6-oxopyridine-2-carbonyl chloride is CCCCOn1c(C(=O)Cl)cccc1=O.
What is the InChIKey of 1-butoxy-6-oxopyridine-2-carbonyl chloride?
The InChIKey is JCWOSSBMENAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-3-7-15-12-8(10(11)14)5-4-6-9(12)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-butoxy-6-oxopyridine-2-carbonyl chloride?
1-butoxy-6-oxopyridine-2-carbonyl chloride has a molecular weight of 229.66 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-6-oxopyridine-2-carbonyl chloride is sourced from PubChem (CID 88864823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).