3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate

C13H7F3N3O3- — CID 6989867

IUPAC3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)7-2-1-3-8(6-7)19-11(20)9-10(12(21)22)18-5-4-17-9/h1-6H,(H,19,20)(H,21,22)/p-1
InChIKeyXTGGDLDPAOJKDH-UHFFFAOYSA-M
MW310.21 g/mol
LogP1.11
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate

3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate (PubChem CID 6989867) has the molecular formula C13H7F3N3O3- and a molecular weight of 310.21 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
PubChem CID6989867
Molecular FormulaC13H7F3N3O3-
Molecular Weight310.21 g/mol
Exact Mass310.04
IUPAC Name3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
SMILESO=C([O-])c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)7-2-1-3-8(6-7)19-11(20)9-10(12(21)22)18-5-4-17-9/h1-6H,(H,19,20)(H,21,22)/p-1
InChIKeyXTGGDLDPAOJKDH-UHFFFAOYSA-M
XLogP1.11
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate (CID 6989867) is 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate is O=C([O-])c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate?
The InChIKey is XTGGDLDPAOJKDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8F3N3O3/c14-13(15,16)7-2-1-3-8(6-7)19-11(20)9-10(12(21)22)18-5-4-17-9/h1-6H,(H,19,20)(H,21,22)/p-1.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate?
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate has a molecular weight of 310.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 6989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).