3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

C6H3ClF3NO2 — CID 69330098

IUPAC3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(O)c1Cl
InChIInChI=1S/C6H3ClF3NO2/c7-3-4(12)2(6(8,9)10)1-11-5(3)13/h1H,(H2,11,12,13)
InChIKeyPJBPCPHGKFIOEE-UHFFFAOYSA-N
MW213.54 g/mol
LogP1.75
Rot. Bonds

About 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 69330098) has the molecular formula C6H3ClF3NO2 and a molecular weight of 213.54 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID69330098
Molecular FormulaC6H3ClF3NO2
Molecular Weight213.54 g/mol
Exact Mass212.98
IUPAC Name3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(O)c1Cl
InChIInChI=1S/C6H3ClF3NO2/c7-3-4(12)2(6(8,9)10)1-11-5(3)13/h1H,(H2,11,12,13)
InChIKeyPJBPCPHGKFIOEE-UHFFFAOYSA-N
XLogP1.75
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.54
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 69330098) is 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(O)c1Cl.
What is the InChIKey of 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is PJBPCPHGKFIOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2/c7-3-4(12)2(6(8,9)10)1-11-5(3)13/h1H,(H2,11,12,13).
What are the key properties of 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 213.54 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 69330098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).