1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride

C9H14ClNO — CID 90669007

IUPAC1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCc1cccnc1CC(C)O.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-3-5-10-9(7)6-8(2)11;/h3-5,8,11H,6H2,1-2H3;1H
InChIKeyDRXIFWWRXYSOQZ-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.74
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride

1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride (PubChem CID 90669007) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride
PubChem CID90669007
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCc1cccnc1CC(C)O.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-3-5-10-9(7)6-8(2)11;/h3-5,8,11H,6H2,1-2H3;1H
InChIKeyDRXIFWWRXYSOQZ-UHFFFAOYSA-N
XLogP1.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-2-pyridinyl)propan-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride (CID 90669007) is 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride is Cc1cccnc1CC(C)O.Cl.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride?
The InChIKey is DRXIFWWRXYSOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7-4-3-5-10-9(7)6-8(2)11;/h3-5,8,11H,6H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride?
1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 90669007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).