N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide

C11H5ClF2N4O3 — CID 107123861

IUPACN-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
SMILESO=C(Nc1cncc(Cl)n1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C11H5ClF2N4O3/c12-8-3-15-4-9(16-8)17-11(19)6-1-5(13)2-7(10(6)14)18(20)21/h1-4H,(H,16,17,19)
InChIKeyYBBQCGZDOIUNSD-UHFFFAOYSA-N
MW314.64 g/mol
LogP2.57
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide

N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide (PubChem CID 107123861) has the molecular formula C11H5ClF2N4O3 and a molecular weight of 314.64 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
PubChem CID107123861
Molecular FormulaC11H5ClF2N4O3
Molecular Weight314.64 g/mol
Exact Mass314.00
IUPAC NameN-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
SMILESO=C(Nc1cncc(Cl)n1)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C11H5ClF2N4O3/c12-8-3-15-4-9(16-8)17-11(19)6-1-5(13)2-7(10(6)14)18(20)21/h1-4H,(H,16,17,19)
InChIKeyYBBQCGZDOIUNSD-UHFFFAOYSA-N
XLogP2.57
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
2,5-difluoro-N-hydroxy-3-nitrobenzamide
CID 107122467
N-(4-bromo-2-pyridinyl)-2,5-difluoro-3-nitrobenzamide
CID 107122453
N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
CID 104820032
2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
2,5-difluoro-N-(2-methyl-1,2,4-triazol-3-yl)-3-nitrobenzamide
CID 107122204
N-(1-amino-1-oxopropan-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107121809

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide (CID 107123861) is N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide is O=C(Nc1cncc(Cl)n1)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide?
The InChIKey is YBBQCGZDOIUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N4O3/c12-8-3-15-4-9(16-8)17-11(19)6-1-5(13)2-7(10(6)14)18(20)21/h1-4H,(H,16,17,19).
What are the key properties of N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide?
N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide has a molecular weight of 314.64 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide is sourced from PubChem (CID 107123861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).