2-(4-iodophenyl)-2-(methylamino)acetonitrile

C9H9IN2 — CID 130518215

IUPAC2-(4-iodophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,1H3
InChIKeyKPXRLTDGAUAXCH-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-iodophenyl)-2-(methylamino)acetonitrile

2-(4-iodophenyl)-2-(methylamino)acetonitrile (PubChem CID 130518215) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(4-iodophenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-iodophenyl)-2-(methylamino)acetonitrile
PubChem CID130518215
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name2-(4-iodophenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1ccc(I)cc1
InChIInChI=1S/C9H9IN2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,1H3
InChIKeyKPXRLTDGAUAXCH-UHFFFAOYSA-N
XLogP2.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.08
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

2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
(2S)-2-(4-iodophenyl)propanenitrile
CID 135394754
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
2-(3-bromophenyl)-2-(methylamino)acetonitrile
CID 43114986
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(4-iodophenyl)-2-(methylamino)acetonitrile (CID 130518215) is 2-(4-iodophenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(4-iodophenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(4-iodophenyl)-2-(methylamino)acetonitrile is CNC(C#N)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-2-(methylamino)acetonitrile?
The InChIKey is KPXRLTDGAUAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,1H3.
What are the key properties of 2-(4-iodophenyl)-2-(methylamino)acetonitrile?
2-(4-iodophenyl)-2-(methylamino)acetonitrile has a molecular weight of 272.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 130518215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).