6-Chloro-2(1H)-Pyridinone

CAS: 16879-02-0 · C5H4ClNO

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 16879-02-0
Molecular Formula: C5H4ClNO
Molecular Mass: 129.55 g/mol

Identifiers

CAS Registry Number

16879-02-0

SMILES

Oc1cccc(Cl)n1

InChI Key

CLNNBQDAAGDAHI-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)

Names and Synonyms

6-Chloro-2(1H)-Pyridinone Systematic Name
2(1H)-Pyridinone, 6-chloro- Synonym
2(1H)-Pyridone, 6-chloro- Synonym
6-Chloro-2(1H)-pyridinone Synonym
2-Chloro-6-hydroxypyridine Synonym
6-Chloro-2-pyridone Synonym
6-Chloro-2-pyridinol Synonym
6-Chloro-2-hydroxypyridine Synonym
6-Chloro-2(1H)-pyridone Synonym
2-Hydroxy-6-chloropyridine Synonym
2-Chloro-6-pyridinol Synonym
6-Chloro-2-pyridinone Synonym
NSC 148331 Synonym
6-Chloro-1,2-dihydropyridin-2-one Synonym
6-Chloro-1H-pyridin-2-one Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	129.55 g/mol	CAS Common Chemistry
	129.546 g/mol	RDKit
	129.543 g/mol	chempirical lib
Canonical SMILES	O=C1C=CC=C(Cl)N1	CAS Common Chemistry
InChI	InChI=1S/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)	CAS Common Chemistry
InChI Key	InChIKey=CLNNBQDAAGDAHI-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	128.5-129 °C	CAS Common Chemistry
Name	6-Chloro-2(1H)-pyridinone	CAS Common Chemistry
Heavy Atom Count	8	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	33.120000000000005 Å²	RDKit
	33.12 Å²	RDKit
	32.59 Å²	chempirical lib
LogP	1.4405999999999999	RDKit
	1.4406	RDKit
Molar Refractivity	30.911799999999992 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	128.998141428 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 129.55 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C5H4ClNO.

Pyridine, 4-Chloro-, 1-Oxide CAS 1121-76-2 2-Chloro-4-Pyridinol CAS 17368-12-6 2-Chloropyridine N-Oxide CAS 2402-95-1 2(1H)-Pyridinone, 5-chloro- CAS 4214-79-3 2-Chloro-3-Pyridinol CAS 6636-78-8 5-Chloro-3-Pyridinol CAS 74115-12-1