3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one

C15H17FN2O2 — CID 118527560

IUPAC3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one
SMILESCc1cc(OC[C@H](F)CN)cc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-11(14-3-2-4-18-15(14)19)7-13(6-10)20-9-12(16)8-17/h2-7,12H,8-9,17H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyCVFQYDMCXPINJH-GFCCVEGCSA-N
MW276.31 g/mol
LogP2.03
Rot. Bonds5

About 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one

3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one (PubChem CID 118527560) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one
PubChem CID118527560
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one
SMILESCc1cc(OC[C@H](F)CN)cc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C15H17FN2O2/c1-10-5-11(14-3-2-4-18-15(14)19)7-13(6-10)20-9-12(16)8-17/h2-7,12H,8-9,17H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyCVFQYDMCXPINJH-GFCCVEGCSA-N
XLogP2.03
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one (CID 118527560) is 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one is Cc1cc(OC[C@H](F)CN)cc(-c2ccc[nH]c2=O)c1.
What is the InChIKey of 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one?
The InChIKey is CVFQYDMCXPINJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-5-11(14-3-2-4-18-15(14)19)7-13(6-10)20-9-12(16)8-17/h2-7,12H,8-9,17H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one?
3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one has a molecular weight of 276.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-3-amino-2-fluoropropoxy]-5-methylphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 118527560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).