6-chloro-2-methylpyridin-3-ol;ethane

C8H12ClNO — CID 144548355

IUPAC6-chloro-2-methylpyridin-3-ol;ethane
SMILESCC.Cc1nc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO.C2H6/c1-4-5(9)2-3-6(7)8-4;1-2/h2-3,9H,1H3;1-2H3
InChIKeyAFXMGXYDDDJLJN-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.78
Rot. Bonds

About 6-chloro-2-methylpyridin-3-ol;ethane

6-chloro-2-methylpyridin-3-ol;ethane (PubChem CID 144548355) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 6-chloro-2-methylpyridin-3-ol;ethane.

Molecular Properties

Compound Name6-chloro-2-methylpyridin-3-ol;ethane
PubChem CID144548355
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name6-chloro-2-methylpyridin-3-ol;ethane
SMILESCC.Cc1nc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO.C2H6/c1-4-5(9)2-3-6(7)8-4;1-2/h2-3,9H,1H3;1-2H3
InChIKeyAFXMGXYDDDJLJN-UHFFFAOYSA-N
XLogP2.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-chloro-2-methylpyridine
CID 14866674
6-(bromomethyl)-2-methylpyridin-3-ol
CID 130776663
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785
2-(6-chloro-2-methyl-3-pyridinyl)ethanol
CID 87555750
6-(disulfanyl)-2-methylpyridin-3-ol
CID 123144928
6-chloro-2-(3,3-dimethylbut-1-en-2-yl)pyridin-3-ol
CID 118493266
3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal
CID 169460005
3-(6-chloro-2-methyl-3-pyridinyl)prop-2-yne-1-thiol
CID 169486226
N-(6-chloro-2-methyl-3-pyridinyl)-N-methylacetamide
CID 167350489
2,6-dichloro-3-methylpyridine
CID 817088
6-chloro-N,N-diethyl-2-methylpyridin-3-amine
CID 82225111
6-chloro-2-methyl-3-pyridin-4-ylpyridine
CID 13289549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylpyridin-3-ol;ethane?
The IUPAC name of 6-chloro-2-methylpyridin-3-ol;ethane (CID 144548355) is 6-chloro-2-methylpyridin-3-ol;ethane.
What is the SMILES notation for 6-chloro-2-methylpyridin-3-ol;ethane?
The canonical SMILES for 6-chloro-2-methylpyridin-3-ol;ethane is CC.Cc1nc(Cl)ccc1O.
What is the InChIKey of 6-chloro-2-methylpyridin-3-ol;ethane?
The InChIKey is AFXMGXYDDDJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO.C2H6/c1-4-5(9)2-3-6(7)8-4;1-2/h2-3,9H,1H3;1-2H3.
What are the key properties of 6-chloro-2-methylpyridin-3-ol;ethane?
6-chloro-2-methylpyridin-3-ol;ethane has a molecular weight of 173.64 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylpyridin-3-ol;ethane is sourced from PubChem (CID 144548355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).