3-fluoro-4-(3-iodoanilino)benzonitrile

C13H8FIN2 — CID 43657311

IUPAC3-fluoro-4-(3-iodoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(I)c2)c(F)c1
InChIInChI=1S/C13H8FIN2/c14-12-6-9(8-16)4-5-13(12)17-11-3-1-2-10(15)7-11/h1-7,17H
InChIKeyAXJVVPPMKIGBHD-UHFFFAOYSA-N
MW338.12 g/mol
LogP4.05
Rot. Bonds2

About 3-fluoro-4-(3-iodoanilino)benzonitrile

3-fluoro-4-(3-iodoanilino)benzonitrile (PubChem CID 43657311) has the molecular formula C13H8FIN2 and a molecular weight of 338.12 g/mol. Its IUPAC name is 3-fluoro-4-(3-iodoanilino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(3-iodoanilino)benzonitrile
PubChem CID43657311
Molecular FormulaC13H8FIN2
Molecular Weight338.12 g/mol
Exact Mass337.97
IUPAC Name3-fluoro-4-(3-iodoanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(I)c2)c(F)c1
InChIInChI=1S/C13H8FIN2/c14-12-6-9(8-16)4-5-13(12)17-11-3-1-2-10(15)7-11/h1-7,17H
InChIKeyAXJVVPPMKIGBHD-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
4-(2-chloro-5-iodoanilino)-3-fluorobenzonitrile
CID 114260128
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-(4-fluoro-2-iodoanilino)benzonitrile
CID 102816826
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
CID 43657118
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
4-(4-bromo-3-methoxyanilino)-3-fluorobenzonitrile
CID 82867653

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-iodoanilino)benzonitrile?
The IUPAC name of 3-fluoro-4-(3-iodoanilino)benzonitrile (CID 43657311) is 3-fluoro-4-(3-iodoanilino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(3-iodoanilino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(3-iodoanilino)benzonitrile is N#Cc1ccc(Nc2cccc(I)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-iodoanilino)benzonitrile?
The InChIKey is AXJVVPPMKIGBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2/c14-12-6-9(8-16)4-5-13(12)17-11-3-1-2-10(15)7-11/h1-7,17H.
What are the key properties of 3-fluoro-4-(3-iodoanilino)benzonitrile?
3-fluoro-4-(3-iodoanilino)benzonitrile has a molecular weight of 338.12 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-iodoanilino)benzonitrile is sourced from PubChem (CID 43657311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).