4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride

C7H6ClNO3 — CID 71438926

IUPAC4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride
SMILESCn1cc(C(=O)Cl)c(O)cc1=O
InChIInChI=1S/C7H6ClNO3/c1-9-3-4(7(8)12)5(10)2-6(9)11/h2-3,10H,1H3
InChIKeyAKYADTJPXGLXGK-UHFFFAOYSA-N
MW187.58 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride

4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride (PubChem CID 71438926) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride
PubChem CID71438926
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride
SMILESCn1cc(C(=O)Cl)c(O)cc1=O
InChIInChI=1S/C7H6ClNO3/c1-9-3-4(7(8)12)5(10)2-6(9)11/h2-3,10H,1H3
InChIKeyAKYADTJPXGLXGK-UHFFFAOYSA-N
XLogP0.47
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride?
The IUPAC name of 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride (CID 71438926) is 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride.
What is the SMILES notation for 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride?
The canonical SMILES for 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride is Cn1cc(C(=O)Cl)c(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride?
The InChIKey is AKYADTJPXGLXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-9-3-4(7(8)12)5(10)2-6(9)11/h2-3,10H,1H3.
What are the key properties of 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride?
4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride has a molecular weight of 187.58 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride is sourced from PubChem (CID 71438926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).