1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one

C10H11F2NO2 — CID 169321680

IUPAC1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one
SMILESCc1cn(C2(C(F)F)CC2)c(=O)cc1O
InChIInChI=1S/C10H11F2NO2/c1-6-5-13(8(15)4-7(6)14)10(2-3-10)9(11)12/h4-5,9,14H,2-3H2,1H3
InChIKeyKMHHXCNHJZPIIE-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.62
Rot. Bonds2

About 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one

1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one (PubChem CID 169321680) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one
PubChem CID169321680
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one
SMILESCc1cn(C2(C(F)F)CC2)c(=O)cc1O
InChIInChI=1S/C10H11F2NO2/c1-6-5-13(8(15)4-7(6)14)10(2-3-10)9(11)12/h4-5,9,14H,2-3H2,1H3
InChIKeyKMHHXCNHJZPIIE-UHFFFAOYSA-N
XLogP1.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one (CID 169321680) is 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one is Cc1cn(C2(C(F)F)CC2)c(=O)cc1O.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one?
The InChIKey is KMHHXCNHJZPIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6-5-13(8(15)4-7(6)14)10(2-3-10)9(11)12/h4-5,9,14H,2-3H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one?
1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one has a molecular weight of 215.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]-4-hydroxy-5-methylpyridin-2-one is sourced from PubChem (CID 169321680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).