5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one

C11H7BrN4O — CID 10085647

IUPAC5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-n3cnc(Br)c3)nccc2[nH]1
InChIInChI=1S/C11H7BrN4O/c12-9-5-16(6-14-9)11-7-1-2-10(17)15-8(7)3-4-13-11/h1-6H,(H,15,17)
InChIKeyMNZJOCYVDGMHPB-UHFFFAOYSA-N
MW291.11 g/mol
LogP1.87
Rot. Bonds1

About 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one

5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one (PubChem CID 10085647) has the molecular formula C11H7BrN4O and a molecular weight of 291.11 g/mol. Its IUPAC name is 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one
PubChem CID10085647
Molecular FormulaC11H7BrN4O
Molecular Weight291.11 g/mol
Exact Mass289.98
IUPAC Name5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-n3cnc(Br)c3)nccc2[nH]1
InChIInChI=1S/C11H7BrN4O/c12-9-5-16(6-14-9)11-7-1-2-10(17)15-8(7)3-4-13-11/h1-6H,(H,15,17)
InChIKeyMNZJOCYVDGMHPB-UHFFFAOYSA-N
XLogP1.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one (CID 10085647) is 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one is O=c1ccc2c(-n3cnc(Br)c3)nccc2[nH]1.
What is the InChIKey of 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one?
The InChIKey is MNZJOCYVDGMHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O/c12-9-5-16(6-14-9)11-7-1-2-10(17)15-8(7)3-4-13-11/h1-6H,(H,15,17).
What are the key properties of 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one?
5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one has a molecular weight of 291.11 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoimidazol-1-yl)-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 10085647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).