5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide

C12H6ClN4O3P — CID 121359751

IUPAC5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide
SMILESN#Cc1cnc(NC(=O)c2cc(Cl)ccc2OP=O)cn1
InChIInChI=1S/C12H6ClN4O3P/c13-7-1-2-10(20-21-19)9(3-7)12(18)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H,(H,16,17,18)
InChIKeyFNIZNZGZDWNYLD-UHFFFAOYSA-N
MW320.63 g/mol
LogP2.84
Rot. Bonds4

About 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide

5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide (PubChem CID 121359751) has the molecular formula C12H6ClN4O3P and a molecular weight of 320.63 g/mol. Its IUPAC name is 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide
PubChem CID121359751
Molecular FormulaC12H6ClN4O3P
Molecular Weight320.63 g/mol
Exact Mass319.99
IUPAC Name5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide
SMILESN#Cc1cnc(NC(=O)c2cc(Cl)ccc2OP=O)cn1
InChIInChI=1S/C12H6ClN4O3P/c13-7-1-2-10(20-21-19)9(3-7)12(18)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H,(H,16,17,18)
InChIKeyFNIZNZGZDWNYLD-UHFFFAOYSA-N
XLogP2.84
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide?
The IUPAC name of 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide (CID 121359751) is 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide.
What is the SMILES notation for 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide?
The canonical SMILES for 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide is N#Cc1cnc(NC(=O)c2cc(Cl)ccc2OP=O)cn1.
What is the InChIKey of 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide?
The InChIKey is FNIZNZGZDWNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN4O3P/c13-7-1-2-10(20-21-19)9(3-7)12(18)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H,(H,16,17,18).
What are the key properties of 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide?
5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide has a molecular weight of 320.63 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyanopyrazin-2-yl)-2-phosphorosooxybenzamide is sourced from PubChem (CID 121359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).