4-chloro-2-iodo-5-methylaniline

C7H7ClIN — CID 58475320

IUPAC4-chloro-2-iodo-5-methylaniline
SMILESCc1cc(N)c(I)cc1Cl
InChIInChI=1S/C7H7ClIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKeyRZWBXGNBGRTHDK-UHFFFAOYSA-N
MW267.50 g/mol
LogP2.84
Rot. Bonds

About 4-chloro-2-iodo-5-methylaniline

4-chloro-2-iodo-5-methylaniline (PubChem CID 58475320) has the molecular formula C7H7ClIN and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-chloro-2-iodo-5-methylaniline.

Molecular Properties

Compound Name4-chloro-2-iodo-5-methylaniline
PubChem CID58475320
Molecular FormulaC7H7ClIN
Molecular Weight267.50 g/mol
Exact Mass266.93
IUPAC Name4-chloro-2-iodo-5-methylaniline
SMILESCc1cc(N)c(I)cc1Cl
InChIInChI=1S/C7H7ClIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
InChIKeyRZWBXGNBGRTHDK-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-iodo-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-5-methylaniline?
The IUPAC name of 4-chloro-2-iodo-5-methylaniline (CID 58475320) is 4-chloro-2-iodo-5-methylaniline.
What is the SMILES notation for 4-chloro-2-iodo-5-methylaniline?
The canonical SMILES for 4-chloro-2-iodo-5-methylaniline is Cc1cc(N)c(I)cc1Cl.
What is the InChIKey of 4-chloro-2-iodo-5-methylaniline?
The InChIKey is RZWBXGNBGRTHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3.
What are the key properties of 4-chloro-2-iodo-5-methylaniline?
4-chloro-2-iodo-5-methylaniline has a molecular weight of 267.50 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-5-methylaniline is sourced from PubChem (CID 58475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).