2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride

C7H9Cl2NO — CID 12721442

IUPAC2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride
SMILESCc1cnc(CCl)c(O)c1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-5-2-7(10)6(3-8)9-4-5;/h2,4,10H,3H2,1H3;1H
InChIKeyGVQBVEGKSHKXQI-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.26
Rot. Bonds1

About 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride

2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride (PubChem CID 12721442) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride
PubChem CID12721442
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride
SMILESCc1cnc(CCl)c(O)c1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-5-2-7(10)6(3-8)9-4-5;/h2,4,10H,3H2,1H3;1H
InChIKeyGVQBVEGKSHKXQI-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945
(3-amino-5-methyl-2-pyridinyl)methanol
CID 130934875
(6-ethyl-5-hydroxy-3-pyridinyl)boronic acid
CID 91882776
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
1-(2-ethyl-5-methyl-3-pyridinyl)ethanone
CID 119089666
6-(hydroxymethyl)-5-methylpyridin-3-ol;rhodium
CID 58047449
ethane;2-ethyl-5-methylpyridin-3-amine
CID 172631822
2-(chloromethyl)-3-fluoro-5-iodopyridine
CID 131115815
2-(aminomethyl)-5-chloropyridin-3-ol
CID 133057163
2,6-dichloro-N-[(3-chloro-5-methyl-2-pyridinyl)methyl]benzamide
CID 58990268
2-(aminomethyl)pyridine-3,5-diol
CID 133058966
ethane;3-methylquinolin-8-ol
CID 143422090

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride (CID 12721442) is 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride is Cc1cnc(CCl)c(O)c1.Cl.
What is the InChIKey of 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride?
The InChIKey is GVQBVEGKSHKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-5-2-7(10)6(3-8)9-4-5;/h2,4,10H,3H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride?
2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 12721442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).