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

C12H7ClF3N3O — CID 122535159

IUPAC3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1nccnc1Cl
InChIInChI=1S/C12H7ClF3N3O/c13-10-9(17-5-6-18-10)11(20)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,19,20)
InChIKeyHVAXNTJEVBDIHS-UHFFFAOYSA-N
MW301.66 g/mol
LogP3.40
Rot. Bonds2

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

3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 122535159) has the molecular formula C12H7ClF3N3O and a molecular weight of 301.66 g/mol. Its IUPAC name is 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID122535159
Molecular FormulaC12H7ClF3N3O
Molecular Weight301.66 g/mol
Exact Mass301.02
IUPAC Name3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1nccnc1Cl
InChIInChI=1S/C12H7ClF3N3O/c13-10-9(17-5-6-18-10)11(20)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,19,20)
InChIKeyHVAXNTJEVBDIHS-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134232339
2-[(2-chloro-3-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58958517
3-chloro-N-[4-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 174638497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 122535159) is 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is HVAXNTJEVBDIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O/c13-10-9(17-5-6-18-10)11(20)19-8-3-1-7(2-4-8)12(14,15)16/h1-6H,(H,19,20).
What are the key properties of 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 301.66 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122535159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).