5-iodoisoquinolin-7-amine

C9H7IN2 — CID 118703454

IUPAC5-iodoisoquinolin-7-amine
SMILESNc1cc(I)c2ccncc2c1
InChIInChI=1S/C9H7IN2/c10-9-4-7(11)3-6-5-12-2-1-8(6)9/h1-5H,11H2
InChIKeyFXMIQKFSKJSFNC-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.42
Rot. Bonds

About 5-iodoisoquinolin-7-amine

5-iodoisoquinolin-7-amine (PubChem CID 118703454) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 5-iodoisoquinolin-7-amine.

Molecular Properties

Compound Name5-iodoisoquinolin-7-amine
PubChem CID118703454
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name5-iodoisoquinolin-7-amine
SMILESNc1cc(I)c2ccncc2c1
InChIInChI=1S/C9H7IN2/c10-9-4-7(11)3-6-5-12-2-1-8(6)9/h1-5H,11H2
InChIKeyFXMIQKFSKJSFNC-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzo[f]isoquinolin-8-amine
CID 101109295
ethane;isoquinolin-6-amine
CID 143931414
3,8-phenanthroline
CID 13064691
6-bromo-5-chloroisoquinolin-7-amine
CID 166475814
8-bromo-6-iodoisoquinolin-7-amine
CID 68760537
2,9-phenanthroline-5,6-diamine
CID 118108253
ethane;isoquinolin-5-amine
CID 143675367
4-chloroisoquinolin-7-amine
CID 66642706
4-aminopyridine-3-thiol
CID 14062661
2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine
CID 82577181
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
CID 159683901
CID 159683901

Frequently Asked Questions

What is the IUPAC name of 5-iodoisoquinolin-7-amine?
The IUPAC name of 5-iodoisoquinolin-7-amine (CID 118703454) is 5-iodoisoquinolin-7-amine.
What is the SMILES notation for 5-iodoisoquinolin-7-amine?
The canonical SMILES for 5-iodoisoquinolin-7-amine is Nc1cc(I)c2ccncc2c1.
What is the InChIKey of 5-iodoisoquinolin-7-amine?
The InChIKey is FXMIQKFSKJSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c10-9-4-7(11)3-6-5-12-2-1-8(6)9/h1-5H,11H2.
What are the key properties of 5-iodoisoquinolin-7-amine?
5-iodoisoquinolin-7-amine has a molecular weight of 270.07 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodoisoquinolin-7-amine is sourced from PubChem (CID 118703454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).