8-chloro-3-iodo-4-methoxy-1,5-naphthyridine

C9H6ClIN2O — CID 118407435

IUPAC8-chloro-3-iodo-4-methoxy-1,5-naphthyridine
SMILESCOc1c(I)cnc2c(Cl)ccnc12
InChIInChI=1S/C9H6ClIN2O/c1-14-9-6(11)4-13-7-5(10)2-3-12-8(7)9/h2-4H,1H3
InChIKeyWKRRRGYCXASYSE-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.90
Rot. Bonds1

About 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine

8-chloro-3-iodo-4-methoxy-1,5-naphthyridine (PubChem CID 118407435) has the molecular formula C9H6ClIN2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name8-chloro-3-iodo-4-methoxy-1,5-naphthyridine
PubChem CID118407435
Molecular FormulaC9H6ClIN2O
Molecular Weight320.52 g/mol
Exact Mass319.92
IUPAC Name8-chloro-3-iodo-4-methoxy-1,5-naphthyridine
SMILESCOc1c(I)cnc2c(Cl)ccnc12
InChIInChI=1S/C9H6ClIN2O/c1-14-9-6(11)4-13-7-5(10)2-3-12-8(7)9/h2-4H,1H3
InChIKeyWKRRRGYCXASYSE-UHFFFAOYSA-N
XLogP2.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-4-methoxy-3-methyl-1,5-naphthyridine
CID 144929643
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
4-methoxy-3,8-di(propan-2-yl)-1,5-naphthyridine
CID 129268497
4-chloro-7-methoxy-8-methylquinoline
CID 21101954
4,5-dichloro-8-methoxyquinoline
CID 43531957
4-chloro-7-iodoquinolin-8-amine
CID 12604273
4-chloro-5-iodo-2-methoxypyridine
CID 58204595
8-chloro-3-iodoquinolin-4-amine
CID 121236751
8-chloropyrido[2,3-b]pyrazine
CID 77230570
3,4-dichloro-2-methoxypyridine
CID 57485134
4-chloro-3-iodo-8-methoxy-5-methylquinoline
CID 102614076

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine?
The IUPAC name of 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine (CID 118407435) is 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine.
What is the SMILES notation for 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine?
The canonical SMILES for 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine is COc1c(I)cnc2c(Cl)ccnc12.
What is the InChIKey of 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine?
The InChIKey is WKRRRGYCXASYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O/c1-14-9-6(11)4-13-7-5(10)2-3-12-8(7)9/h2-4H,1H3.
What are the key properties of 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine?
8-chloro-3-iodo-4-methoxy-1,5-naphthyridine has a molecular weight of 320.52 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-iodo-4-methoxy-1,5-naphthyridine is sourced from PubChem (CID 118407435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).