2-iodo-N,5-dimethyl-N-oxidoaniline

C8H9INO- — CID 163695309

IUPAC2-iodo-N,5-dimethyl-N-oxidoaniline
SMILESCc1ccc(I)c(N(C)[O-])c1
InChIInChI=1S/C8H9INO/c1-6-3-4-7(9)8(5-6)10(2)11/h3-5H,1-2H3/q-1
InChIKeyHXRVAXLAUFPTPU-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.53
Rot. Bonds1

About 2-iodo-N,5-dimethyl-N-oxidoaniline

2-iodo-N,5-dimethyl-N-oxidoaniline (PubChem CID 163695309) has the molecular formula C8H9INO- and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-iodo-N,5-dimethyl-N-oxidoaniline.

Molecular Properties

Compound Name2-iodo-N,5-dimethyl-N-oxidoaniline
PubChem CID163695309
Molecular FormulaC8H9INO-
Molecular Weight262.07 g/mol
Exact Mass261.97
IUPAC Name2-iodo-N,5-dimethyl-N-oxidoaniline
SMILESCc1ccc(I)c(N(C)[O-])c1
InChIInChI=1S/C8H9INO/c1-6-3-4-7(9)8(5-6)10(2)11/h3-5H,1-2H3/q-1
InChIKeyHXRVAXLAUFPTPU-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,5-dimethyl-N-oxidoaniline?
The IUPAC name of 2-iodo-N,5-dimethyl-N-oxidoaniline (CID 163695309) is 2-iodo-N,5-dimethyl-N-oxidoaniline.
What is the SMILES notation for 2-iodo-N,5-dimethyl-N-oxidoaniline?
The canonical SMILES for 2-iodo-N,5-dimethyl-N-oxidoaniline is Cc1ccc(I)c(N(C)[O-])c1.
What is the InChIKey of 2-iodo-N,5-dimethyl-N-oxidoaniline?
The InChIKey is HXRVAXLAUFPTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9INO/c1-6-3-4-7(9)8(5-6)10(2)11/h3-5H,1-2H3/q-1.
What are the key properties of 2-iodo-N,5-dimethyl-N-oxidoaniline?
2-iodo-N,5-dimethyl-N-oxidoaniline has a molecular weight of 262.07 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,5-dimethyl-N-oxidoaniline is sourced from PubChem (CID 163695309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).