4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one

C7H7F2NO3 — CID 130100084

IUPAC4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(O)c[nH]c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-5-4(6(8)9)3(11)2-10-7(5)12/h2,6,11H,1H3,(H,10,12)
InChIKeyCVMDAVXRUCZVKF-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.03
Rot. Bonds2

About 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one

4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one (PubChem CID 130100084) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one
PubChem CID130100084
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(C(F)F)c(O)c[nH]c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-5-4(6(8)9)3(11)2-10-7(5)12/h2,6,11H,1H3,(H,10,12)
InChIKeyCVMDAVXRUCZVKF-UHFFFAOYSA-N
XLogP1.03
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one (CID 130100084) is 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one is COc1c(C(F)F)c(O)c[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one?
The InChIKey is CVMDAVXRUCZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-13-5-4(6(8)9)3(11)2-10-7(5)12/h2,6,11H,1H3,(H,10,12).
What are the key properties of 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one?
4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one has a molecular weight of 191.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-hydroxy-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130100084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).