2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid

C12H6ClF2N3O3 — CID 107371511

IUPAC2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C12H6ClF2N3O3/c13-10-4-16-9(3-17-10)11(19)18-8-2-7(15)6(14)1-5(8)12(20)21/h1-4H,(H,18,19)(H,20,21)
InChIKeyLLLCQOPWKGQXHV-UHFFFAOYSA-N
MW313.65 g/mol
LogP2.36
Rot. Bonds3

About 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid

2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid (PubChem CID 107371511) has the molecular formula C12H6ClF2N3O3 and a molecular weight of 313.65 g/mol. Its IUPAC name is 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
PubChem CID107371511
Molecular FormulaC12H6ClF2N3O3
Molecular Weight313.65 g/mol
Exact Mass313.01
IUPAC Name2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C12H6ClF2N3O3/c13-10-4-16-9(3-17-10)11(19)18-8-2-7(15)6(14)1-5(8)12(20)21/h1-4H,(H,18,19)(H,20,21)
InChIKeyLLLCQOPWKGQXHV-UHFFFAOYSA-N
XLogP2.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 136701768
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
4,5-difluoro-2-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 55129854
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 62867657
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid (CID 107371511) is 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid.
What is the SMILES notation for 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The canonical SMILES for 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid is O=C(Nc1cc(F)c(F)cc1C(=O)O)c1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The InChIKey is LLLCQOPWKGQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O3/c13-10-4-16-9(3-17-10)11(19)18-8-2-7(15)6(14)1-5(8)12(20)21/h1-4H,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid?
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid has a molecular weight of 313.65 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid is sourced from PubChem (CID 107371511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).