6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide

C11H7ClIN3O — CID 103336801

IUPAC6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cncc(Cl)n1
InChIInChI=1S/C11H7ClIN3O/c12-10-6-14-5-9(16-10)11(17)15-8-3-1-2-7(13)4-8/h1-6H,(H,15,17)
InChIKeyFKJVTOCNFRFVIQ-UHFFFAOYSA-N
MW359.55 g/mol
LogP2.99
Rot. Bonds2

About 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide

6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide (PubChem CID 103336801) has the molecular formula C11H7ClIN3O and a molecular weight of 359.55 g/mol. Its IUPAC name is 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
PubChem CID103336801
Molecular FormulaC11H7ClIN3O
Molecular Weight359.55 g/mol
Exact Mass358.93
IUPAC Name6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cncc(Cl)n1
InChIInChI=1S/C11H7ClIN3O/c12-10-6-14-5-9(16-10)11(17)15-8-3-1-2-7(13)4-8/h1-6H,(H,15,17)
InChIKeyFKJVTOCNFRFVIQ-UHFFFAOYSA-N
XLogP2.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
5-hydrazinyl-N-(3-iodophenyl)pyridine-2-carboxamide
CID 104642534
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
6-(1-tert-butylpyrrolidin-2-yl)-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 69020922
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 2983334
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide (CID 103336801) is 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide is O=C(Nc1cccc(I)c1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide?
The InChIKey is FKJVTOCNFRFVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClIN3O/c12-10-6-14-5-9(16-10)11(17)15-8-3-1-2-7(13)4-8/h1-6H,(H,15,17).
What are the key properties of 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide?
6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide has a molecular weight of 359.55 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).