5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide

C11H5Cl3FN3O — CID 107573378

IUPAC5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)cn1
InChIInChI=1S/C11H5Cl3FN3O/c12-6-1-5(2-7(13)10(6)15)18-11(19)8-3-17-9(14)4-16-8/h1-4H,(H,18,19)
InChIKeyWZDKXBLACSYBCP-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide

5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 107573378) has the molecular formula C11H5Cl3FN3O and a molecular weight of 320.54 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID107573378
Molecular FormulaC11H5Cl3FN3O
Molecular Weight320.54 g/mol
Exact Mass318.95
IUPAC Name5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)cn1
InChIInChI=1S/C11H5Cl3FN3O/c12-6-1-5(2-7(13)10(6)15)18-11(19)8-3-17-9(14)4-16-8/h1-4H,(H,18,19)
InChIKeyWZDKXBLACSYBCP-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
5-chloro-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107585014
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide (CID 107573378) is 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is WZDKXBLACSYBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN3O/c12-6-1-5(2-7(13)10(6)15)18-11(19)8-3-17-9(14)4-16-8/h1-4H,(H,18,19).
What are the key properties of 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide?
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 320.54 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107573378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).