bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene

C16H10F4I2N6O2 — CID 139203790

IUPACbis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.NC(=O)c1cnccn1.NC(=O)c1cnccn1
InChIInChI=1S/C6F4I2.2C5H5N3O/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*6-5(9)4-3-7-1-2-8-4/h;2*1-3H,(H2,6,9)
InChIKeyQQOLSMDAIRNEIQ-UHFFFAOYSA-N
MW648.10 g/mol
LogP2.60
Rot. Bonds2

About bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene

bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene (PubChem CID 139203790) has the molecular formula C16H10F4I2N6O2 and a molecular weight of 648.10 g/mol. Its IUPAC name is bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene.

Molecular Properties

Compound Namebis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
PubChem CID139203790
Molecular FormulaC16H10F4I2N6O2
Molecular Weight648.10 g/mol
Exact Mass647.89
IUPAC Namebis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
SMILESFc1c(F)c(I)c(F)c(F)c1I.NC(=O)c1cnccn1.NC(=O)c1cnccn1
InChIInChI=1S/C6F4I2.2C5H5N3O/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*6-5(9)4-3-7-1-2-8-4/h;2*1-3H,(H2,6,9)
InChIKeyQQOLSMDAIRNEIQ-UHFFFAOYSA-N
XLogP2.60
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.10
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene 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

N-deuteriopyrazine-2-carboxamide
CID 175943999
pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
CID 159756851
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide
CID 174778955
pyrazine-2-carbothioic S-acid
CID 87249006
2-(1-iodoethenyl)pyrazine
CID 122605916
amino pyrazine-2-carboxylate
CID 67878279
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate
CID 155803285
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
CID 157476260

Frequently Asked Questions

What is the IUPAC name of bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The IUPAC name of bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene (CID 139203790) is bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene.
What is the SMILES notation for bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The canonical SMILES for bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene is Fc1c(F)c(I)c(F)c(F)c1I.NC(=O)c1cnccn1.NC(=O)c1cnccn1.
What is the InChIKey of bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
The InChIKey is QQOLSMDAIRNEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4I2.2C5H5N3O/c7-1-2(8)6(12)4(10)3(9)5(1)11;2*6-5(9)4-3-7-1-2-8-4/h;2*1-3H,(H2,6,9).
What are the key properties of bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene?
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene has a molecular weight of 648.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene is sourced from PubChem (CID 139203790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).