1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one

C19H18FNO2 — CID 174307331

IUPAC1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1
InChIInChI=1S/C19H18FNO2/c1-12-9-17(22)11-19(23)21(12)13(2)16-8-7-15(18(20)10-16)6-5-14-3-4-14/h7-11,13-14,22H,3-4H2,1-2H3/t13-/m1/s1
InChIKeyKYRNXOMAXUMCRW-CYBMUJFWSA-N
MW311.36 g/mol
LogP3.37
Rot. Bonds2

About 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one

1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 174307331) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID174307331
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1
InChIInChI=1S/C19H18FNO2/c1-12-9-17(22)11-19(23)21(12)13(2)16-8-7-15(18(20)10-16)6-5-14-3-4-14/h7-11,13-14,22H,3-4H2,1-2H3/t13-/m1/s1
InChIKeyKYRNXOMAXUMCRW-CYBMUJFWSA-N
XLogP3.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one (CID 174307331) is 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1[C@H](C)c1ccc(C#CC2CC2)c(F)c1.
What is the InChIKey of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is KYRNXOMAXUMCRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-12-9-17(22)11-19(23)21(12)13(2)16-8-7-15(18(20)10-16)6-5-14-3-4-14/h7-11,13-14,22H,3-4H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 311.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(2-cyclopropylethynyl)-3-fluorophenyl]ethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 174307331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).