3-methoxy-6-methyl-2-prop-1-ynylpyridine

C10H11NO — CID 69178147

IUPAC3-methoxy-6-methyl-2-prop-1-ynylpyridine
SMILESCC#Cc1nc(C)ccc1OC
InChIInChI=1S/C10H11NO/c1-4-5-9-10(12-3)7-6-8(2)11-9/h6-7H,1-3H3
InChIKeyOIMZSRPAFFTAAX-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.77
Rot. Bonds1

About 3-methoxy-6-methyl-2-prop-1-ynylpyridine

3-methoxy-6-methyl-2-prop-1-ynylpyridine (PubChem CID 69178147) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-prop-1-ynylpyridine.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-prop-1-ynylpyridine
PubChem CID69178147
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methoxy-6-methyl-2-prop-1-ynylpyridine
SMILESCC#Cc1nc(C)ccc1OC
InChIInChI=1S/C10H11NO/c1-4-5-9-10(12-3)7-6-8(2)11-9/h6-7H,1-3H3
InChIKeyOIMZSRPAFFTAAX-UHFFFAOYSA-N
XLogP1.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-prop-1-ynylpyridine?
The IUPAC name of 3-methoxy-6-methyl-2-prop-1-ynylpyridine (CID 69178147) is 3-methoxy-6-methyl-2-prop-1-ynylpyridine.
What is the SMILES notation for 3-methoxy-6-methyl-2-prop-1-ynylpyridine?
The canonical SMILES for 3-methoxy-6-methyl-2-prop-1-ynylpyridine is CC#Cc1nc(C)ccc1OC.
What is the InChIKey of 3-methoxy-6-methyl-2-prop-1-ynylpyridine?
The InChIKey is OIMZSRPAFFTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-5-9-10(12-3)7-6-8(2)11-9/h6-7H,1-3H3.
What are the key properties of 3-methoxy-6-methyl-2-prop-1-ynylpyridine?
3-methoxy-6-methyl-2-prop-1-ynylpyridine has a molecular weight of 161.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2-prop-1-ynylpyridine is sourced from PubChem (CID 69178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).