6-Hydroxy-4-Methyl-2-Pyridone

CAS: 4664-16-8 | C6H7NO2

2D Structure

Loading 3D structure...

CAS Registry Number

4664-16-8

SMILES

Cc1cc(O)nc(O)c1

InChI Key

JJHVYGVVMBYCMQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	125.13 g/mol	CAS Common Chemistry
	125.12699999999998 g/mol	RDKit
	125.127 g/mol	RDKit
Canonical SMILES	O=C1C=C(C=C(O)N1)C	CAS Common Chemistry
InChI	InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9)	CAS Common Chemistry
InChI Key	InChIKey=JJHVYGVVMBYCMQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	194 °C	CAS Common Chemistry
Name	6-Hydroxy-4-methyl-2-pyridone	CAS Common Chemistry
Heavy Atom Count	9	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	53.35000000000001 Å²	RDKit
	53.35 Å²	RDKit
	52.82 Å²	chempirical lib
LogP	0.8012199999999998	RDKit
	0.8012	RDKit
Molar Refractivity	32.303599999999996 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1667	RDKit
	0.17	chempirical lib
Exact Mass	125.047678464 g/mol	RDKit

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.

Other compounds with formula C6H7NO2.