3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one

C10H9IN2O — CID 102941603

IUPAC3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one
SMILESCc1cc2c(=O)c(I)c[nH]c2c(C)n1
InChIInChI=1S/C10H9IN2O/c1-5-3-7-9(6(2)13-5)12-4-8(11)10(7)14/h3-4H,1-2H3,(H,12,14)
InChIKeyKANDVRFVGCYCAP-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.14
Rot. Bonds

About 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one

3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one (PubChem CID 102941603) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one
PubChem CID102941603
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one
SMILESCc1cc2c(=O)c(I)c[nH]c2c(C)n1
InChIInChI=1S/C10H9IN2O/c1-5-3-7-9(6(2)13-5)12-4-8(11)10(7)14/h3-4H,1-2H3,(H,12,14)
InChIKeyKANDVRFVGCYCAP-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one?
The IUPAC name of 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one (CID 102941603) is 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one.
What is the SMILES notation for 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one?
The canonical SMILES for 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one is Cc1cc2c(=O)c(I)c[nH]c2c(C)n1.
What is the InChIKey of 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one?
The InChIKey is KANDVRFVGCYCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c1-5-3-7-9(6(2)13-5)12-4-8(11)10(7)14/h3-4H,1-2H3,(H,12,14).
What are the key properties of 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one?
3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one has a molecular weight of 300.10 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one is sourced from PubChem (CID 102941603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).