7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione

C8H7IN2O2 — CID 169149189

IUPAC7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESO=C1CCc2c(cc(I)[nH]c2=O)N1
InChIInChI=1S/C8H7IN2O2/c9-6-3-5-4(8(13)11-6)1-2-7(12)10-5/h3H,1-2H2,(H,10,12)(H,11,13)
InChIKeyXAIWHBMAWUOIRX-UHFFFAOYSA-N
MW290.06 g/mol
LogP0.86
Rot. Bonds

About 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione

7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione (PubChem CID 169149189) has the molecular formula C8H7IN2O2 and a molecular weight of 290.06 g/mol. Its IUPAC name is 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
PubChem CID169149189
Molecular FormulaC8H7IN2O2
Molecular Weight290.06 g/mol
Exact Mass289.96
IUPAC Name7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESO=C1CCc2c(cc(I)[nH]c2=O)N1
InChIInChI=1S/C8H7IN2O2/c9-6-3-5-4(8(13)11-6)1-2-7(12)10-5/h3H,1-2H2,(H,10,12)(H,11,13)
InChIKeyXAIWHBMAWUOIRX-UHFFFAOYSA-N
XLogP0.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82213232
5-hydroxy-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 155040320
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 145472330
5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82213230
5-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 10877685
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-hydroxy-5,7-bis(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 22095461
7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
CID 145283835
5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 117291601
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
8-chloro-7-iodo-3,4-dihydro-1H-1-benzazepine-2,5-dione
CID 58476599

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione (CID 169149189) is 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione is O=C1CCc2c(cc(I)[nH]c2=O)N1.
What is the InChIKey of 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione?
The InChIKey is XAIWHBMAWUOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O2/c9-6-3-5-4(8(13)11-6)1-2-7(12)10-5/h3H,1-2H2,(H,10,12)(H,11,13).
What are the key properties of 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione?
7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione has a molecular weight of 290.06 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 169149189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).