3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride

C10H16ClNO — CID 90669009

IUPAC3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride
SMILESCc1cnc(CCCO)c(C)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-6-9(2)10(11-7-8)4-3-5-12;/h6-7,12H,3-5H2,1-2H3;1H
InChIKeyZBEQKQGWIDWDHJ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.05
Rot. Bonds3

About 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride

3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 90669009) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride
PubChem CID90669009
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride
SMILESCc1cnc(CCCO)c(C)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-6-9(2)10(11-7-8)4-3-5-12;/h6-7,12H,3-5H2,1-2H3;1H
InChIKeyZBEQKQGWIDWDHJ-UHFFFAOYSA-N
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride (CID 90669009) is 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride is Cc1cnc(CCCO)c(C)c1.Cl.
What is the InChIKey of 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is ZBEQKQGWIDWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8-6-9(2)10(11-7-8)4-3-5-12;/h6-7,12H,3-5H2,1-2H3;1H.
What are the key properties of 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride?
3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 90669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).