2-methoxy-5-pentan-3-ylpyridine

C11H17NO — CID 123545685

IUPAC2-methoxy-5-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(OC)nc1
InChIInChI=1S/C11H17NO/c1-4-9(5-2)10-6-7-11(13-3)12-8-10/h6-9H,4-5H2,1-3H3
InChIKeyOQHKGFZRNGIKCE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.99
Rot. Bonds4

About 2-methoxy-5-pentan-3-ylpyridine

2-methoxy-5-pentan-3-ylpyridine (PubChem CID 123545685) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methoxy-5-pentan-3-ylpyridine.

Molecular Properties

Compound Name2-methoxy-5-pentan-3-ylpyridine
PubChem CID123545685
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methoxy-5-pentan-3-ylpyridine
SMILESCCC(CC)c1ccc(OC)nc1
InChIInChI=1S/C11H17NO/c1-4-9(5-2)10-6-7-11(13-3)12-8-10/h6-9H,4-5H2,1-3H3
InChIKeyOQHKGFZRNGIKCE-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-5-pentan-3-ylpyridine 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

1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064
2-chloro-5-pentan-3-ylpyridine
CID 134459618
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
2-ethoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937958
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-pentan-3-ylpyridine?
The IUPAC name of 2-methoxy-5-pentan-3-ylpyridine (CID 123545685) is 2-methoxy-5-pentan-3-ylpyridine.
What is the SMILES notation for 2-methoxy-5-pentan-3-ylpyridine?
The canonical SMILES for 2-methoxy-5-pentan-3-ylpyridine is CCC(CC)c1ccc(OC)nc1.
What is the InChIKey of 2-methoxy-5-pentan-3-ylpyridine?
The InChIKey is OQHKGFZRNGIKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(5-2)10-6-7-11(13-3)12-8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-5-pentan-3-ylpyridine?
2-methoxy-5-pentan-3-ylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-pentan-3-ylpyridine is sourced from PubChem (CID 123545685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).