7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one

C10H9BrN4O — CID 167179109

IUPAC7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one
SMILESC/C(=N\N)c1cc2ncc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H9BrN4O/c1-5(15-12)7-3-8-9(14-10(7)16)2-6(11)4-13-8/h2-4H,12H2,1H3,(H,14,16)/b15-5+
InChIKeyFDBSINWKZJVVKC-PJQLUOCWSA-N
MW281.11 g/mol
LogP1.37
Rot. Bonds1

About 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one

7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one (PubChem CID 167179109) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one
PubChem CID167179109
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one
SMILESC/C(=N\N)c1cc2ncc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H9BrN4O/c1-5(15-12)7-3-8-9(14-10(7)16)2-6(11)4-13-8/h2-4H,12H2,1H3,(H,14,16)/b15-5+
InChIKeyFDBSINWKZJVVKC-PJQLUOCWSA-N
XLogP1.37
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one (CID 167179109) is 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one is C/C(=N\N)c1cc2ncc(Br)cc2[nH]c1=O.
What is the InChIKey of 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one?
The InChIKey is FDBSINWKZJVVKC-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-5(15-12)7-3-8-9(14-10(7)16)2-6(11)4-13-8/h2-4H,12H2,1H3,(H,14,16)/b15-5+.
What are the key properties of 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one?
7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one has a molecular weight of 281.11 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 167179109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).