4-chloro-3-iodobenzonitrile

C7H3ClIN — CID 16659396

IUPAC4-chloro-3-iodobenzonitrile
SMILESN#Cc1ccc(Cl)c(I)c1
InChIInChI=1S/C7H3ClIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKeyWUNSVSXKDMQXSB-UHFFFAOYSA-N
MW263.47 g/mol
LogP2.82
Rot. Bonds

About 4-chloro-3-iodobenzonitrile

4-chloro-3-iodobenzonitrile (PubChem CID 16659396) has the molecular formula C7H3ClIN and a molecular weight of 263.47 g/mol. Its IUPAC name is 4-chloro-3-iodobenzonitrile.

Molecular Properties

Compound Name4-chloro-3-iodobenzonitrile
PubChem CID16659396
Molecular FormulaC7H3ClIN
Molecular Weight263.47 g/mol
Exact Mass262.90
IUPAC Name4-chloro-3-iodobenzonitrile
SMILESN#Cc1ccc(Cl)c(I)c1
InChIInChI=1S/C7H3ClIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKeyWUNSVSXKDMQXSB-UHFFFAOYSA-N
XLogP2.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-iodophenoxy)benzonitrile
CID 59601645
3-iodo-4-sulfanylbenzonitrile
CID 91874029
4-amino-3-iodobenzonitrile;hydroiodide
CID 161496000
3-bromo-4-iodobenzonitrile
CID 26598355
3-fluoro-4-iodobenzonitrile
CID 24721521
4-tert-butyl-3-iodobenzonitrile
CID 58989887
4-cyano-2-iodobenzoic acid
CID 53404296
4-(2-bromoethyl)-3-iodobenzonitrile
CID 174450603
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
4-(2-chloro-5-iodoanilino)-3-fluorobenzonitrile
CID 114260128
4-(aminooxymethyl)-3-iodobenzonitrile
CID 58989999
3-chloro-4-(2,5-dimethylpyrrol-1-yl)benzonitrile
CID 107808307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodobenzonitrile?
The IUPAC name of 4-chloro-3-iodobenzonitrile (CID 16659396) is 4-chloro-3-iodobenzonitrile.
What is the SMILES notation for 4-chloro-3-iodobenzonitrile?
The canonical SMILES for 4-chloro-3-iodobenzonitrile is N#Cc1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodobenzonitrile?
The InChIKey is WUNSVSXKDMQXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H.
What are the key properties of 4-chloro-3-iodobenzonitrile?
4-chloro-3-iodobenzonitrile has a molecular weight of 263.47 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodobenzonitrile is sourced from PubChem (CID 16659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).