2,6-dimethyl-4-prop-1-ynylpyridine

C10H11N — CID 135268450

IUPAC2,6-dimethyl-4-prop-1-ynylpyridine
SMILESCC#Cc1cc(C)nc(C)c1
InChIInChI=1S/C10H11N/c1-4-5-10-6-8(2)11-9(3)7-10/h6-7H,1-3H3
InChIKeyMXMRHUBGMSGZPJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.07
Rot. Bonds

About 2,6-dimethyl-4-prop-1-ynylpyridine

2,6-dimethyl-4-prop-1-ynylpyridine (PubChem CID 135268450) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2,6-dimethyl-4-prop-1-ynylpyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-prop-1-ynylpyridine
PubChem CID135268450
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2,6-dimethyl-4-prop-1-ynylpyridine
SMILESCC#Cc1cc(C)nc(C)c1
InChIInChI=1S/C10H11N/c1-4-5-10-6-8(2)11-9(3)7-10/h6-7H,1-3H3
InChIKeyMXMRHUBGMSGZPJ-UHFFFAOYSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.07
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 2,6-dimethyl-4-prop-1-ynylpyridine?
The IUPAC name of 2,6-dimethyl-4-prop-1-ynylpyridine (CID 135268450) is 2,6-dimethyl-4-prop-1-ynylpyridine.
What is the SMILES notation for 2,6-dimethyl-4-prop-1-ynylpyridine?
The canonical SMILES for 2,6-dimethyl-4-prop-1-ynylpyridine is CC#Cc1cc(C)nc(C)c1.
What is the InChIKey of 2,6-dimethyl-4-prop-1-ynylpyridine?
The InChIKey is MXMRHUBGMSGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-4-5-10-6-8(2)11-9(3)7-10/h6-7H,1-3H3.
What are the key properties of 2,6-dimethyl-4-prop-1-ynylpyridine?
2,6-dimethyl-4-prop-1-ynylpyridine has a molecular weight of 145.20 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-prop-1-ynylpyridine is sourced from PubChem (CID 135268450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).