2-methyl-5-prop-1-ynylpyridine

C9H9N — CID 15373699

IUPAC2-methyl-5-prop-1-ynylpyridine
SMILESCC#Cc1ccc(C)nc1
InChIInChI=1S/C9H9N/c1-3-4-9-6-5-8(2)10-7-9/h5-7H,1-2H3
InChIKeyQBSAXINXVARNBL-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.76
Rot. Bonds

About 2-methyl-5-prop-1-ynylpyridine

2-methyl-5-prop-1-ynylpyridine (PubChem CID 15373699) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-methyl-5-prop-1-ynylpyridine.

Molecular Properties

Compound Name2-methyl-5-prop-1-ynylpyridine
PubChem CID15373699
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2-methyl-5-prop-1-ynylpyridine
SMILESCC#Cc1ccc(C)nc1
InChIInChI=1S/C9H9N/c1-3-4-9-6-5-8(2)10-7-9/h5-7H,1-2H3
InChIKeyQBSAXINXVARNBL-UHFFFAOYSA-N
XLogP1.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-5-prop-1-ynylpyridine?
The IUPAC name of 2-methyl-5-prop-1-ynylpyridine (CID 15373699) is 2-methyl-5-prop-1-ynylpyridine.
What is the SMILES notation for 2-methyl-5-prop-1-ynylpyridine?
The canonical SMILES for 2-methyl-5-prop-1-ynylpyridine is CC#Cc1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-prop-1-ynylpyridine?
The InChIKey is QBSAXINXVARNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-3-4-9-6-5-8(2)10-7-9/h5-7H,1-2H3.
What are the key properties of 2-methyl-5-prop-1-ynylpyridine?
2-methyl-5-prop-1-ynylpyridine has a molecular weight of 131.18 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-ynylpyridine is sourced from PubChem (CID 15373699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).