5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide

C11H5Cl4N3O — CID 107371747

IUPAC5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)cn1
InChIInChI=1S/C11H5Cl4N3O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H,18,19)
InChIKeyRPGVAPWCNYHINB-UHFFFAOYSA-N
MW336.99 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide

5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide (PubChem CID 107371747) has the molecular formula C11H5Cl4N3O and a molecular weight of 336.99 g/mol. Its IUPAC name is 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
PubChem CID107371747
Molecular FormulaC11H5Cl4N3O
Molecular Weight336.99 g/mol
Exact Mass334.92
IUPAC Name5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)cn1
InChIInChI=1S/C11H5Cl4N3O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H,18,19)
InChIKeyRPGVAPWCNYHINB-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.99
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511
2-chloro-6-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371540
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide (CID 107371747) is 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is RPGVAPWCNYHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4N3O/c12-5-1-7(14)8(2-6(5)13)18-11(19)9-3-17-10(15)4-16-9/h1-4H,(H,18,19).
What are the key properties of 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide?
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 336.99 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).