6-iodonaphthalen-2-amine;hydrochloride

C10H9ClIN — CID 127258958

IUPAC6-iodonaphthalen-2-amine;hydrochloride
SMILESCl.Nc1ccc2cc(I)ccc2c1
InChIInChI=1S/C10H8IN.ClH/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;/h1-6H,12H2;1H
InChIKeyNKVKNXCRYYPZIC-UHFFFAOYSA-N
MW305.55 g/mol
LogP3.45
Rot. Bonds

About 6-iodonaphthalen-2-amine;hydrochloride

6-iodonaphthalen-2-amine;hydrochloride (PubChem CID 127258958) has the molecular formula C10H9ClIN and a molecular weight of 305.55 g/mol. Its IUPAC name is 6-iodonaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name6-iodonaphthalen-2-amine;hydrochloride
PubChem CID127258958
Molecular FormulaC10H9ClIN
Molecular Weight305.55 g/mol
Exact Mass304.95
IUPAC Name6-iodonaphthalen-2-amine;hydrochloride
SMILESCl.Nc1ccc2cc(I)ccc2c1
InChIInChI=1S/C10H8IN.ClH/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;/h1-6H,12H2;1H
InChIKeyNKVKNXCRYYPZIC-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 53.45
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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Related Compounds

1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
ethane;naphthalen-2-amine
CID 70389802
6,7-dichloronaphthalen-2-amine
CID 70123851
6-aminonaphthalene-2-thiol
CID 4713137
aniline;naphthalen-2-amine
CID 158733233
ethane;4-iodoaniline
CID 91398425
2-(chloromethyl)-6-iodonaphthalene
CID 124706982
hexahelicene-3,14-diamine
CID 102491196
5-amino-2-(2-cyano-4-iodophenyl)benzonitrile
CID 138665964
2-bromonaphthalene;naphthalen-2-amine
CID 173256216
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
7-chloronaphthalen-2-amine
CID 23423659

Frequently Asked Questions

What is the IUPAC name of 6-iodonaphthalen-2-amine;hydrochloride?
The IUPAC name of 6-iodonaphthalen-2-amine;hydrochloride (CID 127258958) is 6-iodonaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 6-iodonaphthalen-2-amine;hydrochloride?
The canonical SMILES for 6-iodonaphthalen-2-amine;hydrochloride is Cl.Nc1ccc2cc(I)ccc2c1.
What is the InChIKey of 6-iodonaphthalen-2-amine;hydrochloride?
The InChIKey is NKVKNXCRYYPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN.ClH/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;/h1-6H,12H2;1H.
What are the key properties of 6-iodonaphthalen-2-amine;hydrochloride?
6-iodonaphthalen-2-amine;hydrochloride has a molecular weight of 305.55 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodonaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 127258958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).