2-Hydroxy-3-Methylpyridine

CAS: 1003-56-1 | C6H7NO

2D Structure

Loading 3D structure...

CAS Registry Number

1003-56-1

SMILES

Cc1cccnc1O

InChI Key

MVKDNXIKAWKCCS-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	109.13 g/mol	CAS Common Chemistry
	109.128 g/mol	RDKit
Boiling Point	289 °C	CAS Common Chemistry
Canonical SMILES	O=C1NC=CC=C1C	CAS Common Chemistry
InChI	InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)	CAS Common Chemistry
InChI Key	InChIKey=MVKDNXIKAWKCCS-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	141.5 °C	CAS Common Chemistry
Name	2-Hydroxy-3-methylpyridine	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	1.0956199999999998	RDKit
	1.0956	RDKit
Molar Refractivity	30.638799999999993 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1667	RDKit
	0.17	chempirical lib
Exact Mass	109.052763844 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 C6H7NO.