8-chloro-3-iodoquinolin-4-amine

C9H6ClIN2 — CID 121236751

IUPAC8-chloro-3-iodoquinolin-4-amine
SMILESNc1c(I)cnc2c(Cl)cccc12
InChIInChI=1S/C9H6ClIN2/c10-6-3-1-2-5-8(12)7(11)4-13-9(5)6/h1-4H,(H2,12,13)
InChIKeyKDVFXHBDUWTTQF-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.08
Rot. Bonds

About 8-chloro-3-iodoquinolin-4-amine

8-chloro-3-iodoquinolin-4-amine (PubChem CID 121236751) has the molecular formula C9H6ClIN2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 8-chloro-3-iodoquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-3-iodoquinolin-4-amine
PubChem CID121236751
Molecular FormulaC9H6ClIN2
Molecular Weight304.52 g/mol
Exact Mass303.93
IUPAC Name8-chloro-3-iodoquinolin-4-amine
SMILESNc1c(I)cnc2c(Cl)cccc12
InChIInChI=1S/C9H6ClIN2/c10-6-3-1-2-5-8(12)7(11)4-13-9(5)6/h1-4H,(H2,12,13)
InChIKeyKDVFXHBDUWTTQF-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-iodoquinolin-4-amine?
The IUPAC name of 8-chloro-3-iodoquinolin-4-amine (CID 121236751) is 8-chloro-3-iodoquinolin-4-amine.
What is the SMILES notation for 8-chloro-3-iodoquinolin-4-amine?
The canonical SMILES for 8-chloro-3-iodoquinolin-4-amine is Nc1c(I)cnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-3-iodoquinolin-4-amine?
The InChIKey is KDVFXHBDUWTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2/c10-6-3-1-2-5-8(12)7(11)4-13-9(5)6/h1-4H,(H2,12,13).
What are the key properties of 8-chloro-3-iodoquinolin-4-amine?
8-chloro-3-iodoquinolin-4-amine has a molecular weight of 304.52 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-iodoquinolin-4-amine is sourced from PubChem (CID 121236751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).