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

C9H6BrIN2O — CID 102941606

IUPAC3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1nc2[nH]cc(Br)c(=O)c2cc1I
InChIInChI=1S/C9H6BrIN2O/c1-4-7(11)2-5-8(14)6(10)3-12-9(5)13-4/h2-3H,1H3,(H,12,13,14)
InChIKeyLQHOYAYJFSDRLY-UHFFFAOYSA-N
MW364.97 g/mol
LogP2.60
Rot. Bonds

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

3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 102941606) has the molecular formula C9H6BrIN2O and a molecular weight of 364.97 g/mol. Its IUPAC name is 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID102941606
Molecular FormulaC9H6BrIN2O
Molecular Weight364.97 g/mol
Exact Mass363.87
IUPAC Name3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1nc2[nH]cc(Br)c(=O)c2cc1I
InChIInChI=1S/C9H6BrIN2O/c1-4-7(11)2-5-8(14)6(10)3-12-9(5)13-4/h2-3H,1H3,(H,12,13,14)
InChIKeyLQHOYAYJFSDRLY-UHFFFAOYSA-N
XLogP2.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.97
LogP ≤ 52.60
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-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one (CID 102941606) is 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one is Cc1nc2[nH]cc(Br)c(=O)c2cc1I.
What is the InChIKey of 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is LQHOYAYJFSDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2O/c1-4-7(11)2-5-8(14)6(10)3-12-9(5)13-4/h2-3H,1H3,(H,12,13,14).
What are the key properties of 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one?
3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 364.97 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 102941606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).