3-iodo-8-methyl-1H-1,7-naphthyridin-4-one

C9H7IN2O — CID 102941594

IUPAC3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1nccc2c(=O)c(I)c[nH]c12
InChIInChI=1S/C9H7IN2O/c1-5-8-6(2-3-11-5)9(13)7(10)4-12-8/h2-4H,1H3,(H,12,13)
InChIKeyVUGQKQBRJLSTQF-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.84
Rot. Bonds

About 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one

3-iodo-8-methyl-1H-1,7-naphthyridin-4-one (PubChem CID 102941594) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
PubChem CID102941594
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1nccc2c(=O)c(I)c[nH]c12
InChIInChI=1S/C9H7IN2O/c1-5-8-6(2-3-11-5)9(13)7(10)4-12-8/h2-4H,1H3,(H,12,13)
InChIKeyVUGQKQBRJLSTQF-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.84
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

3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one
CID 102941603
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one
CID 139470855
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
CID 129293771
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
3-iodo-7-methoxy-1H-pyrrolo[2,3-c]pyridine
CID 53412719
8-fluoro-3-iodo-6-methyl-1H-quinolin-4-one
CID 102614971
8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
CID 107627877
3-iodo-6-[(6-methyl-3-pyridinyl)methyl]-1H-benzo[h]quinolin-4-one
CID 130441308
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
3-chloro-6,8-dimethyl-1H-1,7-naphthyridin-4-one
CID 102941601
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423

Frequently Asked Questions

What is the IUPAC name of 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one?
The IUPAC name of 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one (CID 102941594) is 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one.
What is the SMILES notation for 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one?
The canonical SMILES for 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one is Cc1nccc2c(=O)c(I)c[nH]c12.
What is the InChIKey of 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one?
The InChIKey is VUGQKQBRJLSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-5-8-6(2-3-11-5)9(13)7(10)4-12-8/h2-4H,1H3,(H,12,13).
What are the key properties of 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one?
3-iodo-8-methyl-1H-1,7-naphthyridin-4-one has a molecular weight of 286.07 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-methyl-1H-1,7-naphthyridin-4-one is sourced from PubChem (CID 102941594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).