2-amino-5-iodo-4-methoxybenzonitrile

C8H7IN2O — CID 163342952

IUPAC2-amino-5-iodo-4-methoxybenzonitrile
SMILESCOc1cc(N)c(C#N)cc1I
InChIInChI=1S/C8H7IN2O/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-3H,11H2,1H3
InChIKeyGRSVBDFSSVEGTG-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-5-iodo-4-methoxybenzonitrile

2-amino-5-iodo-4-methoxybenzonitrile (PubChem CID 163342952) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 2-amino-5-iodo-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-amino-5-iodo-4-methoxybenzonitrile
PubChem CID163342952
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name2-amino-5-iodo-4-methoxybenzonitrile
SMILESCOc1cc(N)c(C#N)cc1I
InChIInChI=1S/C8H7IN2O/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-3H,11H2,1H3
InChIKeyGRSVBDFSSVEGTG-UHFFFAOYSA-N
XLogP1.75
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-5-methoxybenzonitrile
CID 171011985
2-amino-5-iodo-4-methylbenzonitrile
CID 147196701
2-amino-4-chloro-5-methoxybenzonitrile
CID 130139412
ethyl 2-cyano-4-iodo-5-methoxybenzoate
CID 134643414
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
2-amino-5-(2-chloroacetyl)-4-methoxybenzonitrile
CID 171013240
4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
5-amino-2-bromo-4-methoxybenzonitrile
CID 131504972
2-(2-bromoacetyl)-4-iodo-5-methoxybenzonitrile
CID 171025481
4-(2-bromoacetyl)-5-iodo-2-methoxybenzonitrile
CID 171025402
2-fluoro-5-iodo-3-methoxybenzonitrile
CID 131285030

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-methoxybenzonitrile?
The IUPAC name of 2-amino-5-iodo-4-methoxybenzonitrile (CID 163342952) is 2-amino-5-iodo-4-methoxybenzonitrile.
What is the SMILES notation for 2-amino-5-iodo-4-methoxybenzonitrile?
The canonical SMILES for 2-amino-5-iodo-4-methoxybenzonitrile is COc1cc(N)c(C#N)cc1I.
What is the InChIKey of 2-amino-5-iodo-4-methoxybenzonitrile?
The InChIKey is GRSVBDFSSVEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-3H,11H2,1H3.
What are the key properties of 2-amino-5-iodo-4-methoxybenzonitrile?
2-amino-5-iodo-4-methoxybenzonitrile has a molecular weight of 274.06 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-methoxybenzonitrile is sourced from PubChem (CID 163342952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).