2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile

C10H10INO2 — CID 119002608

IUPAC2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
SMILESCOc1cc(I)cc(OC)c1CC#N
InChIInChI=1S/C10H10INO2/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h5-6H,3H2,1-2H3
InChIKeyRDHUISUFPFCODK-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile

2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile (PubChem CID 119002608) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
PubChem CID119002608
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
SMILESCOc1cc(I)cc(OC)c1CC#N
InChIInChI=1S/C10H10INO2/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h5-6H,3H2,1-2H3
InChIKeyRDHUISUFPFCODK-UHFFFAOYSA-N
XLogP2.37
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodo-2-methoxyphenyl)acetonitrile
CID 91883503
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310
2-(2-chloro-3,5,6-trimethoxyphenyl)acetonitrile
CID 117356095
2-(3-iodo-4,5-dimethoxyphenyl)acetonitrile
CID 15133320
2-(6-bromo-2,3,4-trimethoxyphenyl)acetonitrile
CID 84813475
2-fluoro-5-iodo-3-methoxybenzonitrile
CID 131285030
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
2-[3,5-bis(cyanomethyl)-2,4,6-trimethoxyphenyl]acetonitrile
CID 86065154
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile?
The IUPAC name of 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile (CID 119002608) is 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile is COc1cc(I)cc(OC)c1CC#N.
What is the InChIKey of 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile?
The InChIKey is RDHUISUFPFCODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c1-13-9-5-7(11)6-10(14-2)8(9)3-4-12/h5-6H,3H2,1-2H3.
What are the key properties of 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile?
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile has a molecular weight of 303.10 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile is sourced from PubChem (CID 119002608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).