1-(6-methyl-2-pyridinyl)pentan-3-ol

C11H17NO — CID 572290

IUPAC1-(6-methyl-2-pyridinyl)pentan-3-ol
SMILESCCC(O)CCc1cccc(C)n1
InChIInChI=1S/C11H17NO/c1-3-11(13)8-7-10-6-4-5-9(2)12-10/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeySNTKQGVIUKQQRG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.09
Rot. Bonds4

About 1-(6-methyl-2-pyridinyl)pentan-3-ol

1-(6-methyl-2-pyridinyl)pentan-3-ol (PubChem CID 572290) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)pentan-3-ol.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)pentan-3-ol
PubChem CID572290
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-methyl-2-pyridinyl)pentan-3-ol
SMILESCCC(O)CCc1cccc(C)n1
InChIInChI=1S/C11H17NO/c1-3-11(13)8-7-10-6-4-5-9(2)12-10/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeySNTKQGVIUKQQRG-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)pentan-3-ol?
The IUPAC name of 1-(6-methyl-2-pyridinyl)pentan-3-ol (CID 572290) is 1-(6-methyl-2-pyridinyl)pentan-3-ol.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)pentan-3-ol?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)pentan-3-ol is CCC(O)CCc1cccc(C)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)pentan-3-ol?
The InChIKey is SNTKQGVIUKQQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(13)8-7-10-6-4-5-9(2)12-10/h4-6,11,13H,3,7-8H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)pentan-3-ol?
1-(6-methyl-2-pyridinyl)pentan-3-ol has a molecular weight of 179.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)pentan-3-ol is sourced from PubChem (CID 572290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).