5-chloro-2-iodoaniline

C6H5ClIN — CID 639697

IUPAC5-chloro-2-iodoaniline
SMILESNc1cc(Cl)ccc1I
InChIInChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKeyFEOMAFDDLHSVMO-UHFFFAOYSA-N
MW253.47 g/mol
LogP2.53
Rot. Bonds

About 5-chloro-2-iodoaniline

5-chloro-2-iodoaniline (PubChem CID 639697) has the molecular formula C6H5ClIN and a molecular weight of 253.47 g/mol. Its IUPAC name is 5-chloro-2-iodoaniline.

Molecular Properties

Compound Name5-chloro-2-iodoaniline
PubChem CID639697
Molecular FormulaC6H5ClIN
Molecular Weight253.47 g/mol
Exact Mass252.92
IUPAC Name5-chloro-2-iodoaniline
SMILESNc1cc(Cl)ccc1I
InChIInChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKeyFEOMAFDDLHSVMO-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 52.53
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodoaniline?
The IUPAC name of 5-chloro-2-iodoaniline (CID 639697) is 5-chloro-2-iodoaniline.
What is the SMILES notation for 5-chloro-2-iodoaniline?
The canonical SMILES for 5-chloro-2-iodoaniline is Nc1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodoaniline?
The InChIKey is FEOMAFDDLHSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2.
What are the key properties of 5-chloro-2-iodoaniline?
5-chloro-2-iodoaniline has a molecular weight of 253.47 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodoaniline is sourced from PubChem (CID 639697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).