4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol

C11H12FNO — CID 166549064

IUPAC4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol
SMILESCc1ccnc(C#CC(C)(C)O)c1F
InChIInChI=1S/C11H12FNO/c1-8-5-7-13-9(10(8)12)4-6-11(2,3)14/h5,7,14H,1-3H3
InChIKeyIMIVVMIHHUCIKN-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.65
Rot. Bonds

About 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol

4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol (PubChem CID 166549064) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol
PubChem CID166549064
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol
SMILESCc1ccnc(C#CC(C)(C)O)c1F
InChIInChI=1S/C11H12FNO/c1-8-5-7-13-9(10(8)12)4-6-11(2,3)14/h5,7,14H,1-3H3
InChIKeyIMIVVMIHHUCIKN-UHFFFAOYSA-N
XLogP1.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol 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

2-ethynyl-3-fluoro-4-methylpyridine
CID 74888490
4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylbut-3-yn-2-ol
CID 122242965
ethane;3-fluoro-4-methylpyridine-2-carbonitrile
CID 156725109
2-methyl-4-[2,3,5,6-tetrafluoro-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]but-3-yn-2-ol
CID 19871683
2-(3,4-dimethyl-2-pyridinyl)propan-2-ol
CID 174374699
4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
CID 66783994
4-(3-chloroquinoxalin-2-yl)-2-methylbut-3-yn-2-ol
CID 13464828
4-(5-ethylpyrimidin-2-yl)-2-methylbut-3-yn-2-ol
CID 122242955
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
CID 23006406
(3-fluoro-4-methyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161572
4-[4-(isoquinolin-1-ylmethyl)phenyl]-2-methylbut-3-yn-2-ol
CID 59715669
4-(3-chloro-4-methylphenyl)-2-methylbut-3-yn-2-ol
CID 103920568

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol (CID 166549064) is 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol is Cc1ccnc(C#CC(C)(C)O)c1F.
What is the InChIKey of 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol?
The InChIKey is IMIVVMIHHUCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8-5-7-13-9(10(8)12)4-6-11(2,3)14/h5,7,14H,1-3H3.
What are the key properties of 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol?
4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol has a molecular weight of 193.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methyl-2-pyridinyl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 166549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).