2-chloro-6-iodoaniline

C6H5ClIN — CID 13218925

IUPAC2-chloro-6-iodoaniline
SMILESNc1c(Cl)cccc1I
InChIInChI=1S/C6H5ClIN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKeyUTFIHWOTCWJTGT-UHFFFAOYSA-N
MW253.47 g/mol
LogP2.53
Rot. Bonds

About 2-chloro-6-iodoaniline

2-chloro-6-iodoaniline (PubChem CID 13218925) has the molecular formula C6H5ClIN and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-chloro-6-iodoaniline.

Molecular Properties

Compound Name2-chloro-6-iodoaniline
PubChem CID13218925
Molecular FormulaC6H5ClIN
Molecular Weight253.47 g/mol
Exact Mass252.92
IUPAC Name2-chloro-6-iodoaniline
SMILESNc1c(Cl)cccc1I
InChIInChI=1S/C6H5ClIN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKeyUTFIHWOTCWJTGT-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 2-chloro-6-iodoaniline?
The IUPAC name of 2-chloro-6-iodoaniline (CID 13218925) is 2-chloro-6-iodoaniline.
What is the SMILES notation for 2-chloro-6-iodoaniline?
The canonical SMILES for 2-chloro-6-iodoaniline is Nc1c(Cl)cccc1I.
What is the InChIKey of 2-chloro-6-iodoaniline?
The InChIKey is UTFIHWOTCWJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClIN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2.
What are the key properties of 2-chloro-6-iodoaniline?
2-chloro-6-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 2-chloro-6-iodoaniline is sourced from PubChem (CID 13218925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).