4-(2-methylbut-3-ynyl)pyridine

C10H11N — CID 83929898

IUPAC4-(2-methylbut-3-ynyl)pyridine
SMILESC#CC(C)Cc1ccncc1
InChIInChI=1S/C10H11N/c1-3-9(2)8-10-4-6-11-7-5-10/h1,4-7,9H,8H2,2H3
InChIKeyVEHSQTADOMMZPR-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.89
Rot. Bonds2

About 4-(2-methylbut-3-ynyl)pyridine

4-(2-methylbut-3-ynyl)pyridine (PubChem CID 83929898) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(2-methylbut-3-ynyl)pyridine.

Molecular Properties

Compound Name4-(2-methylbut-3-ynyl)pyridine
PubChem CID83929898
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4-(2-methylbut-3-ynyl)pyridine
SMILESC#CC(C)Cc1ccncc1
InChIInChI=1S/C10H11N/c1-3-9(2)8-10-4-6-11-7-5-10/h1,4-7,9H,8H2,2H3
InChIKeyVEHSQTADOMMZPR-UHFFFAOYSA-N
XLogP1.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylbut-3-ynyl)pyridine 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

(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-ethylsulfanyl-4-(2-methylbut-3-ynyl)benzene
CID 83935870
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
1-pyridin-4-ylhex-5-yn-2-amine
CID 63642414
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
(3-methyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105199657
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
4-(4-ethyl-2,3,5-trimethylhexyl)pyridine
CID 173352468

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbut-3-ynyl)pyridine?
The IUPAC name of 4-(2-methylbut-3-ynyl)pyridine (CID 83929898) is 4-(2-methylbut-3-ynyl)pyridine.
What is the SMILES notation for 4-(2-methylbut-3-ynyl)pyridine?
The canonical SMILES for 4-(2-methylbut-3-ynyl)pyridine is C#CC(C)Cc1ccncc1.
What is the InChIKey of 4-(2-methylbut-3-ynyl)pyridine?
The InChIKey is VEHSQTADOMMZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-3-9(2)8-10-4-6-11-7-5-10/h1,4-7,9H,8H2,2H3.
What are the key properties of 4-(2-methylbut-3-ynyl)pyridine?
4-(2-methylbut-3-ynyl)pyridine has a molecular weight of 145.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-3-ynyl)pyridine is sourced from PubChem (CID 83929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).