(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium

C15H12IN2O2+ — CID 87903535

IUPAC(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
SMILESCn1c(=O)c([I+]c2ccccc2)c(O)c2cccnc21
InChIInChI=1S/C15H11IN2O2/c1-18-14-11(8-5-9-17-14)13(19)12(15(18)20)16-10-6-3-2-4-7-10/h2-9H,1H3/p+1
InChIKeyMPBNXKZFTHNYGJ-UHFFFAOYSA-O
MW379.18 g/mol
LogP-1.23
Rot. Bonds2

About (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium

(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium (PubChem CID 87903535) has the molecular formula C15H12IN2O2+ and a molecular weight of 379.18 g/mol. Its IUPAC name is (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium.

Molecular Properties

Compound Name(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
PubChem CID87903535
Molecular FormulaC15H12IN2O2+
Molecular Weight379.18 g/mol
Exact Mass378.99
IUPAC Name(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
SMILESCn1c(=O)c([I+]c2ccccc2)c(O)c2cccnc21
InChIInChI=1S/C15H11IN2O2/c1-18-14-11(8-5-9-17-14)13(19)12(15(18)20)16-10-6-3-2-4-7-10/h2-9H,1H3/p+1
InChIKeyMPBNXKZFTHNYGJ-UHFFFAOYSA-O
XLogP-1.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium?
The IUPAC name of (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium (CID 87903535) is (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium.
What is the SMILES notation for (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium?
The canonical SMILES for (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium is Cn1c(=O)c([I+]c2ccccc2)c(O)c2cccnc21.
What is the InChIKey of (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium?
The InChIKey is MPBNXKZFTHNYGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H11IN2O2/c1-18-14-11(8-5-9-17-14)13(19)12(15(18)20)16-10-6-3-2-4-7-10/h2-9H,1H3/p+1.
What are the key properties of (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium?
(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium has a molecular weight of 379.18 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium is sourced from PubChem (CID 87903535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).