8-iodo-4-methyl-1,6-naphthyridine

C9H7IN2 — CID 138690515

IUPAC8-iodo-4-methyl-1,6-naphthyridine
SMILESCc1ccnc2c(I)cncc12
InChIInChI=1S/C9H7IN2/c1-6-2-3-12-9-7(6)4-11-5-8(9)10/h2-5H,1H3
InChIKeyQBZYKCFWIIERRI-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.54
Rot. Bonds

About 8-iodo-4-methyl-1,6-naphthyridine

8-iodo-4-methyl-1,6-naphthyridine (PubChem CID 138690515) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 8-iodo-4-methyl-1,6-naphthyridine.

Molecular Properties

Compound Name8-iodo-4-methyl-1,6-naphthyridine
PubChem CID138690515
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name8-iodo-4-methyl-1,6-naphthyridine
SMILESCc1ccnc2c(I)cncc12
InChIInChI=1S/C9H7IN2/c1-6-2-3-12-9-7(6)4-11-5-8(9)10/h2-5H,1H3
InChIKeyQBZYKCFWIIERRI-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-iodo-4-methyl-1,6-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-iodo-4-methyl-1,6-naphthyridine?
The IUPAC name of 8-iodo-4-methyl-1,6-naphthyridine (CID 138690515) is 8-iodo-4-methyl-1,6-naphthyridine.
What is the SMILES notation for 8-iodo-4-methyl-1,6-naphthyridine?
The canonical SMILES for 8-iodo-4-methyl-1,6-naphthyridine is Cc1ccnc2c(I)cncc12.
What is the InChIKey of 8-iodo-4-methyl-1,6-naphthyridine?
The InChIKey is QBZYKCFWIIERRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c1-6-2-3-12-9-7(6)4-11-5-8(9)10/h2-5H,1H3.
What are the key properties of 8-iodo-4-methyl-1,6-naphthyridine?
8-iodo-4-methyl-1,6-naphthyridine has a molecular weight of 270.07 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-4-methyl-1,6-naphthyridine is sourced from PubChem (CID 138690515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).