5-chloro-2-(4-iodoanilino)benzonitrile

C13H8ClIN2 — CID 63510924

IUPAC5-chloro-2-(4-iodoanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2/c14-10-1-6-13(9(7-10)8-16)17-12-4-2-11(15)3-5-12/h1-7,17H
InChIKeyMRVCKDDOUVZYQW-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.56
Rot. Bonds2

About 5-chloro-2-(4-iodoanilino)benzonitrile

5-chloro-2-(4-iodoanilino)benzonitrile (PubChem CID 63510924) has the molecular formula C13H8ClIN2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 5-chloro-2-(4-iodoanilino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(4-iodoanilino)benzonitrile
PubChem CID63510924
Molecular FormulaC13H8ClIN2
Molecular Weight354.58 g/mol
Exact Mass353.94
IUPAC Name5-chloro-2-(4-iodoanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2/c14-10-1-6-13(9(7-10)8-16)17-12-4-2-11(15)3-5-12/h1-7,17H
InChIKeyMRVCKDDOUVZYQW-UHFFFAOYSA-N
XLogP4.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.56
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

5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
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4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107574674
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
CID 107366251
2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
CID 65475337
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
5-chloro-2-(4-methyl-3-nitroanilino)benzonitrile
CID 62492719
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-iodoanilino)benzonitrile?
The IUPAC name of 5-chloro-2-(4-iodoanilino)benzonitrile (CID 63510924) is 5-chloro-2-(4-iodoanilino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(4-iodoanilino)benzonitrile?
The canonical SMILES for 5-chloro-2-(4-iodoanilino)benzonitrile is N#Cc1cc(Cl)ccc1Nc1ccc(I)cc1.
What is the InChIKey of 5-chloro-2-(4-iodoanilino)benzonitrile?
The InChIKey is MRVCKDDOUVZYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2/c14-10-1-6-13(9(7-10)8-16)17-12-4-2-11(15)3-5-12/h1-7,17H.
What are the key properties of 5-chloro-2-(4-iodoanilino)benzonitrile?
5-chloro-2-(4-iodoanilino)benzonitrile has a molecular weight of 354.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-iodoanilino)benzonitrile is sourced from PubChem (CID 63510924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).