7-iodo-1,7-naphthyridin-8-one

C8H5IN2O — CID 174258978

IUPAC7-iodo-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1I
InChIInChI=1S/C8H5IN2O/c9-11-5-3-6-2-1-4-10-7(6)8(11)12/h1-5H
InChIKeyJALWOBXSRGAMQQ-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.59
Rot. Bonds

About 7-iodo-1,7-naphthyridin-8-one

7-iodo-1,7-naphthyridin-8-one (PubChem CID 174258978) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is 7-iodo-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-iodo-1,7-naphthyridin-8-one
PubChem CID174258978
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC Name7-iodo-1,7-naphthyridin-8-one
SMILESO=c1c2ncccc2ccn1I
InChIInChI=1S/C8H5IN2O/c9-11-5-3-6-2-1-4-10-7(6)8(11)12/h1-5H
InChIKeyJALWOBXSRGAMQQ-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,7-naphthyridin-8-one?
The IUPAC name of 7-iodo-1,7-naphthyridin-8-one (CID 174258978) is 7-iodo-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-iodo-1,7-naphthyridin-8-one?
The canonical SMILES for 7-iodo-1,7-naphthyridin-8-one is O=c1c2ncccc2ccn1I.
What is the InChIKey of 7-iodo-1,7-naphthyridin-8-one?
The InChIKey is JALWOBXSRGAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-11-5-3-6-2-1-4-10-7(6)8(11)12/h1-5H.
What are the key properties of 7-iodo-1,7-naphthyridin-8-one?
7-iodo-1,7-naphthyridin-8-one has a molecular weight of 272.05 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,7-naphthyridin-8-one is sourced from PubChem (CID 174258978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).