3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C13H8F3N3O4 — CID 23633123

IUPAC3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3N3O4/c14-13(15,16)23-8-3-1-7(2-4-8)19-11(20)9-10(12(21)22)18-6-5-17-9/h1-6H,(H,19,20)(H,21,22)
InChIKeyXBDKYEKFVDWFAV-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.33
Rot. Bonds4

About 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 23633123) has the molecular formula C13H8F3N3O4 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID23633123
Molecular FormulaC13H8F3N3O4
Molecular Weight327.22 g/mol
Exact Mass327.05
IUPAC Name3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3N3O4/c14-13(15,16)23-8-3-1-7(2-4-8)19-11(20)9-10(12(21)22)18-6-5-17-9/h1-6H,(H,19,20)(H,21,22)
InChIKeyXBDKYEKFVDWFAV-UHFFFAOYSA-N
XLogP2.33
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
CID 64630070
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
1-methyl-3-[[4-(trifluoromethoxy)phenyl]carbamoyl]indazole-6-carboxylic acid
CID 135345841
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 23633123) is 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is XBDKYEKFVDWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O4/c14-13(15,16)23-8-3-1-7(2-4-8)19-11(20)9-10(12(21)22)18-6-5-17-9/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 327.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 23633123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).