5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid

C12H7ClFN3O3 — CID 137373426

IUPAC5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cc(F)ccc2Cl)cn1
InChIInChI=1S/C12H7ClFN3O3/c13-8-2-1-6(14)3-7(8)11(18)17-10-5-15-9(4-16-10)12(19)20/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyPOTWBKHRPRWANF-UHFFFAOYSA-N
MW295.66 g/mol
LogP2.22
Rot. Bonds3

About 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid

5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 137373426) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID137373426
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC Name5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2cc(F)ccc2Cl)cn1
InChIInChI=1S/C12H7ClFN3O3/c13-8-2-1-6(14)3-7(8)11(18)17-10-5-15-9(4-16-10)12(19)20/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyPOTWBKHRPRWANF-UHFFFAOYSA-N
XLogP2.22
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid (CID 137373426) is 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC(=O)c2cc(F)ccc2Cl)cn1.
What is the InChIKey of 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is POTWBKHRPRWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-8-2-1-6(14)3-7(8)11(18)17-10-5-15-9(4-16-10)12(19)20/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 295.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137373426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).