4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride

C7H6ClNO3 — CID 45081639

IUPAC4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(=O)[nH]cc1C(=O)Cl
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-6(10)9-3-4(5)7(8)11/h2-3H,1H3,(H,9,10)
InChIKeyJWYDXKJMJJMSOW-UHFFFAOYSA-N
MW187.58 g/mol
LogP0.76
Rot. Bonds2

About 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride

4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 45081639) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID45081639
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
SMILESCOc1cc(=O)[nH]cc1C(=O)Cl
InChIInChI=1S/C7H6ClNO3/c1-12-5-2-6(10)9-3-4(5)7(8)11/h2-3H,1H3,(H,9,10)
InChIKeyJWYDXKJMJJMSOW-UHFFFAOYSA-N
XLogP0.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
8,9-dimethoxy-3-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid
CID 87764780
4-methoxy-5-nitro-1H-pyridin-2-one
CID 26370134
4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
4-methoxy-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 138051826
4-methoxy-5-[3-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167924843
7-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 144609848
5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539
5,6-dimethyl-1H-indole-3-carbonyl chloride
CID 45081910
(7-acetyloxy-3-carbonochloridoyl-4-oxo-1H-quinolin-6-yl) acetate
CID 13131775

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride (CID 45081639) is 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride is COc1cc(=O)[nH]cc1C(=O)Cl.
What is the InChIKey of 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is JWYDXKJMJJMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c1-12-5-2-6(10)9-3-4(5)7(8)11/h2-3H,1H3,(H,9,10).
What are the key properties of 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride?
4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 187.58 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 45081639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).