3-(4-methyl-2H-pyridin-1-yl)propan-1-ol

C9H15NO — CID 163297936

IUPAC3-(4-methyl-2H-pyridin-1-yl)propan-1-ol
SMILESCC1=CCN(CCCO)C=C1
InChIInChI=1S/C9H15NO/c1-9-3-6-10(7-4-9)5-2-8-11/h3-4,6,11H,2,5,7-8H2,1H3
InChIKeyLWZBSGKWRDWWDG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.14
Rot. Bonds3

About 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol

3-(4-methyl-2H-pyridin-1-yl)propan-1-ol (PubChem CID 163297936) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-2H-pyridin-1-yl)propan-1-ol
PubChem CID163297936
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(4-methyl-2H-pyridin-1-yl)propan-1-ol
SMILESCC1=CCN(CCCO)C=C1
InChIInChI=1S/C9H15NO/c1-9-3-6-10(7-4-9)5-2-8-11/h3-4,6,11H,2,5,7-8H2,1H3
InChIKeyLWZBSGKWRDWWDG-UHFFFAOYSA-N
XLogP1.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol (CID 163297936) is 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol is CC1=CCN(CCCO)C=C1.
What is the InChIKey of 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is LWZBSGKWRDWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9-3-6-10(7-4-9)5-2-8-11/h3-4,6,11H,2,5,7-8H2,1H3.
What are the key properties of 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol?
3-(4-methyl-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 163297936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).