3-methoxy-2-(4-methylpentyl)pyridine

C12H19NO — CID 177208696

IUPAC3-methoxy-2-(4-methylpentyl)pyridine
SMILESCOc1cccnc1CCCC(C)C
InChIInChI=1S/C12H19NO/c1-10(2)6-4-7-11-12(14-3)8-5-9-13-11/h5,8-10H,4,6-7H2,1-3H3
InChIKeyXKYFOZALWIZPQA-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.07
Rot. Bonds5

About 3-methoxy-2-(4-methylpentyl)pyridine

3-methoxy-2-(4-methylpentyl)pyridine (PubChem CID 177208696) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methoxy-2-(4-methylpentyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-(4-methylpentyl)pyridine
PubChem CID177208696
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methoxy-2-(4-methylpentyl)pyridine
SMILESCOc1cccnc1CCCC(C)C
InChIInChI=1S/C12H19NO/c1-10(2)6-4-7-11-12(14-3)8-5-9-13-11/h5,8-10H,4,6-7H2,1-3H3
InChIKeyXKYFOZALWIZPQA-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methylpentyl)pyridine?
The IUPAC name of 3-methoxy-2-(4-methylpentyl)pyridine (CID 177208696) is 3-methoxy-2-(4-methylpentyl)pyridine.
What is the SMILES notation for 3-methoxy-2-(4-methylpentyl)pyridine?
The canonical SMILES for 3-methoxy-2-(4-methylpentyl)pyridine is COc1cccnc1CCCC(C)C.
What is the InChIKey of 3-methoxy-2-(4-methylpentyl)pyridine?
The InChIKey is XKYFOZALWIZPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)6-4-7-11-12(14-3)8-5-9-13-11/h5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 3-methoxy-2-(4-methylpentyl)pyridine?
3-methoxy-2-(4-methylpentyl)pyridine has a molecular weight of 193.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methylpentyl)pyridine is sourced from PubChem (CID 177208696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).