iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate

C11H9IN2O3 — CID 174323263

IUPACiodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate
SMILESCc1cc2c(cn1)cc(C(=O)OI)c(=O)n2C
InChIInChI=1S/C11H9IN2O3/c1-6-3-9-7(5-13-6)4-8(11(16)17-12)10(15)14(9)2/h3-5H,1-2H3
InChIKeyFMSQDLPTVNKRJJ-UHFFFAOYSA-N
MW344.11 g/mol
LogP1.75
Rot. Bonds1

About iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate

iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 174323263) has the molecular formula C11H9IN2O3 and a molecular weight of 344.11 g/mol. Its IUPAC name is iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameiodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID174323263
Molecular FormulaC11H9IN2O3
Molecular Weight344.11 g/mol
Exact Mass343.97
IUPAC Nameiodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate
SMILESCc1cc2c(cn1)cc(C(=O)OI)c(=O)n2C
InChIInChI=1S/C11H9IN2O3/c1-6-3-9-7(5-13-6)4-8(11(16)17-12)10(15)14(9)2/h3-5H,1-2H3
InChIKeyFMSQDLPTVNKRJJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate (CID 174323263) is iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate is Cc1cc2c(cn1)cc(C(=O)OI)c(=O)n2C.
What is the InChIKey of iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is FMSQDLPTVNKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O3/c1-6-3-9-7(5-13-6)4-8(11(16)17-12)10(15)14(9)2/h3-5H,1-2H3.
What are the key properties of iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate?
iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 344.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 1,7-dimethyl-2-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 174323263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).