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

C12H7F4N3O2 — CID 174638461

IUPAC3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1nccnc1F
InChIInChI=1S/C12H7F4N3O2/c13-10-9(17-3-4-18-10)11(21)19-7-5-6(12(14,15)16)1-2-8(7)20/h1-5,20H,(H,19,21)
InChIKeyLNCGCNULMPUTCJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.59
Rot. Bonds2

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

3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 174638461) has the molecular formula C12H7F4N3O2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID174638461
Molecular FormulaC12H7F4N3O2
Molecular Weight301.20 g/mol
Exact Mass301.05
IUPAC Name3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)c1nccnc1F
InChIInChI=1S/C12H7F4N3O2/c13-10-9(17-3-4-18-10)11(21)19-7-5-6(12(14,15)16)1-2-8(7)20/h1-5,20H,(H,19,21)
InChIKeyLNCGCNULMPUTCJ-UHFFFAOYSA-N
XLogP2.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.59
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-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 2811387
3-chloro-N-[5-chloro-2-hydroxy-4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638500
3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638497
(2R)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 103930266
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 135632821
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 174638461) is 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1O)c1nccnc1F.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is LNCGCNULMPUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N3O2/c13-10-9(17-3-4-18-10)11(21)19-7-5-6(12(14,15)16)1-2-8(7)20/h1-5,20H,(H,19,21).
What are the key properties of 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174638461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).