3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid

C12H7F3N4O3 — CID 56761677

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7F3N4O3/c13-12(14,15)6-1-2-7(18-5-6)19-10(20)8-9(11(21)22)17-4-3-16-8/h1-5H,(H,21,22)(H,18,19,20)
InChIKeyDMWRZWNXMQKRTF-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.84
Rot. Bonds3

About 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 56761677) has the molecular formula C12H7F3N4O3 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID56761677
Molecular FormulaC12H7F3N4O3
Molecular Weight312.21 g/mol
Exact Mass312.05
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7F3N4O3/c13-12(14,15)6-1-2-7(18-5-6)19-10(20)8-9(11(21)22)17-4-3-16-8/h1-5H,(H,21,22)(H,18,19,20)
InChIKeyDMWRZWNXMQKRTF-UHFFFAOYSA-N
XLogP1.84
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid (CID 56761677) is 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is DMWRZWNXMQKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O3/c13-12(14,15)6-1-2-7(18-5-6)19-10(20)8-9(11(21)22)17-4-3-16-8/h1-5H,(H,21,22)(H,18,19,20).
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 312.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56761677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).