3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

C13H10ClF3N2O2 — CID 88847440

IUPAC3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCN(O)c1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c1-18(21)10-5-6-19(12(20)11(10)14)9-4-2-3-8(7-9)13(15,16)17/h2-7,21H,1H3
InChIKeyPSLHYXXUJSFWBQ-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.34
Rot. Bonds2

About 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one

3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 88847440) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID88847440
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Name3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCN(O)c1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c1-18(21)10-5-6-19(12(20)11(10)14)9-4-2-3-8(7-9)13(15,16)17/h2-7,21H,1H3
InChIKeyPSLHYXXUJSFWBQ-UHFFFAOYSA-N
XLogP3.34
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 88847440) is 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is CN(O)c1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is PSLHYXXUJSFWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c1-18(21)10-5-6-19(12(20)11(10)14)9-4-2-3-8(7-9)13(15,16)17/h2-7,21H,1H3.
What are the key properties of 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one?
3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 318.68 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 88847440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).