(5-chloro-2-iodophenyl)methanamine;hydrochloride

C7H8Cl2IN — CID 122156655

IUPAC(5-chloro-2-iodophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)ccc1I
InChIInChI=1S/C7H7ClIN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H
InChIKeyPBTRTUPMLHFGKQ-UHFFFAOYSA-N
MW303.96 g/mol
LogP2.83
Rot. Bonds1

About (5-chloro-2-iodophenyl)methanamine;hydrochloride

(5-chloro-2-iodophenyl)methanamine;hydrochloride (PubChem CID 122156655) has the molecular formula C7H8Cl2IN and a molecular weight of 303.96 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)methanamine;hydrochloride
PubChem CID122156655
Molecular FormulaC7H8Cl2IN
Molecular Weight303.96 g/mol
Exact Mass302.91
IUPAC Name(5-chloro-2-iodophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)ccc1I
InChIInChI=1S/C7H7ClIN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H
InChIKeyPBTRTUPMLHFGKQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.96
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2-iodophenyl)methanamine;hydrochloride (CID 122156655) is (5-chloro-2-iodophenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2-iodophenyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2-iodophenyl)methanamine;hydrochloride is Cl.NCc1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)methanamine;hydrochloride?
The InChIKey is PBTRTUPMLHFGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H.
What are the key properties of (5-chloro-2-iodophenyl)methanamine;hydrochloride?
(5-chloro-2-iodophenyl)methanamine;hydrochloride has a molecular weight of 303.96 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)methanamine;hydrochloride is sourced from PubChem (CID 122156655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).