1,4-dioxane;pyridine-3-carbonyl chloride

C10H12ClNO3 — CID 146303491

IUPAC1,4-dioxane;pyridine-3-carbonyl chloride
SMILESC1COCCO1.O=C(Cl)c1cccnc1
InChIInChI=1S/C6H4ClNO.C4H8O2/c7-6(9)5-2-1-3-8-4-5;1-2-6-4-3-5-1/h1-4H;1-4H2
InChIKeyKTJSMNDDFAZRPY-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.49
Rot. Bonds1

About 1,4-dioxane;pyridine-3-carbonyl chloride

1,4-dioxane;pyridine-3-carbonyl chloride (PubChem CID 146303491) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 1,4-dioxane;pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name1,4-dioxane;pyridine-3-carbonyl chloride
PubChem CID146303491
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name1,4-dioxane;pyridine-3-carbonyl chloride
SMILESC1COCCO1.O=C(Cl)c1cccnc1
InChIInChI=1S/C6H4ClNO.C4H8O2/c7-6(9)5-2-1-3-8-4-5;1-2-6-4-3-5-1/h1-4H;1-4H2
InChIKeyKTJSMNDDFAZRPY-UHFFFAOYSA-N
XLogP1.49
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(111C)methyl pyridine-3-carboxylate
CID 11309537
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
neodymium(3+);pyridine-3-carboxylate
CID 23619365
CID 175154223
CID 175154223

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;pyridine-3-carbonyl chloride?
The IUPAC name of 1,4-dioxane;pyridine-3-carbonyl chloride (CID 146303491) is 1,4-dioxane;pyridine-3-carbonyl chloride.
What is the SMILES notation for 1,4-dioxane;pyridine-3-carbonyl chloride?
The canonical SMILES for 1,4-dioxane;pyridine-3-carbonyl chloride is C1COCCO1.O=C(Cl)c1cccnc1.
What is the InChIKey of 1,4-dioxane;pyridine-3-carbonyl chloride?
The InChIKey is KTJSMNDDFAZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO.C4H8O2/c7-6(9)5-2-1-3-8-4-5;1-2-6-4-3-5-1/h1-4H;1-4H2.
What are the key properties of 1,4-dioxane;pyridine-3-carbonyl chloride?
1,4-dioxane;pyridine-3-carbonyl chloride has a molecular weight of 229.66 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;pyridine-3-carbonyl chloride is sourced from PubChem (CID 146303491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).