3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C12H6Cl2F3N3O2 — CID 174638497

IUPAC3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cc1O)c1nccnc1Cl
InChIInChI=1S/C12H6Cl2F3N3O2/c13-6-4-8(21)7(3-5(6)12(15,16)17)20-11(22)9-10(14)19-2-1-18-9/h1-4,21H,(H,20,22)
InChIKeyHIOJGEURIJBRND-UHFFFAOYSA-N
MW352.10 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 174638497) has the molecular formula C12H6Cl2F3N3O2 and a molecular weight of 352.10 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID174638497
Molecular FormulaC12H6Cl2F3N3O2
Molecular Weight352.10 g/mol
Exact Mass350.98
IUPAC Name3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cc1O)c1nccnc1Cl
InChIInChI=1S/C12H6Cl2F3N3O2/c13-6-4-8(21)7(3-5(6)12(15,16)17)20-11(22)9-10(14)19-2-1-18-9/h1-4,21H,(H,20,22)
InChIKeyHIOJGEURIJBRND-UHFFFAOYSA-N
XLogP3.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[5-chloro-2-hydroxy-4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638500
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638461
3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
CID 126755030
N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
CID 71250988
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
CID 151388664
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861481
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 174638497) is 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)c(Cl)cc1O)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is HIOJGEURIJBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N3O2/c13-6-4-8(21)7(3-5(6)12(15,16)17)20-11(22)9-10(14)19-2-1-18-9/h1-4,21H,(H,20,22).
What are the key properties of 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 352.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174638497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).