2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile

C12H7FIN3 — CID 79766787

IUPAC2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)6-9)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17)
InChIKeyBCPFINMPNONMIJ-UHFFFAOYSA-N
MW339.11 g/mol
LogP3.44
Rot. Bonds2

About 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile

2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile (PubChem CID 79766787) has the molecular formula C12H7FIN3 and a molecular weight of 339.11 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
PubChem CID79766787
Molecular FormulaC12H7FIN3
Molecular Weight339.11 g/mol
Exact Mass338.97
IUPAC Name2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)6-9)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17)
InChIKeyBCPFINMPNONMIJ-UHFFFAOYSA-N
XLogP3.44
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 53.44
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

3-(4-fluoro-2-iodoanilino)benzonitrile
CID 102816826
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 28968597
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
3-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 113269401
2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114262113
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
2-anilinopyridine-4-carbonitrile
CID 24696970
N-(4-fluoro-2-iodophenyl)-1H-imidazol-2-amine
CID 106576399
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile (CID 79766787) is 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(F)cc2I)c1.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The InChIKey is BCPFINMPNONMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FIN3/c13-9-1-2-11(10(14)6-9)17-12-5-8(7-15)3-4-16-12/h1-6H,(H,16,17).
What are the key properties of 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile has a molecular weight of 339.11 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 79766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).