4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one

C12H14FNO — CID 122543540

IUPAC4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)c(C)c(F)c1C(C)C
InChIInChI=1S/C12H14FNO/c1-5-6-9-10(7(2)3)11(13)8(4)12(15)14-9/h7H,1-4H3,(H,14,15)
InChIKeyMQOIYWDNBMTBJB-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.32
Rot. Bonds1

About 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one

4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one (PubChem CID 122543540) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
PubChem CID122543540
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)c(C)c(F)c1C(C)C
InChIInChI=1S/C12H14FNO/c1-5-6-9-10(7(2)3)11(13)8(4)12(15)14-9/h7H,1-4H3,(H,14,15)
InChIKeyMQOIYWDNBMTBJB-UHFFFAOYSA-N
XLogP2.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one (CID 122543540) is 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one is CC#Cc1[nH]c(=O)c(C)c(F)c1C(C)C.
What is the InChIKey of 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
The InChIKey is MQOIYWDNBMTBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-5-6-9-10(7(2)3)11(13)8(4)12(15)14-9/h7H,1-4H3,(H,14,15).
What are the key properties of 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one?
4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one is sourced from PubChem (CID 122543540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).