5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one

C8H7IN2O — CID 135395291

IUPAC5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(I)ccnc2N1
InChIInChI=1S/C8H7IN2O/c9-6-3-4-10-8-5(6)1-2-7(12)11-8/h3-4H,1-2H2,(H,10,11,12)
InChIKeyUQPNSTDKUATEIV-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.57
Rot. Bonds

About 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 135395291) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID135395291
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(I)ccnc2N1
InChIInChI=1S/C8H7IN2O/c9-6-3-4-10-8-5(6)1-2-7(12)11-8/h3-4H,1-2H2,(H,10,11,12)
InChIKeyUQPNSTDKUATEIV-UHFFFAOYSA-N
XLogP1.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163523317
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155586354
[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methylamino] thiohypoiodite
CID 167153013
4-propyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 59421424
2-iodo-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 139502494
2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine
CID 169096584
4-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 91663888
N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055673
bis(pyrrolidine-2,5-dione);triazine
CID 157144252
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 70395227
CID 70395227

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 135395291) is 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(I)ccnc2N1.
What is the InChIKey of 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is UQPNSTDKUATEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c9-6-3-4-10-8-5(6)1-2-7(12)11-8/h3-4H,1-2H2,(H,10,11,12).
What are the key properties of 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 274.06 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 135395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).