2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C17H13BrN4O2 — CID 168970914

IUPAC2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CN3C=Cc4c(Br)cncc4C3O)cn2c1
InChIInChI=1S/C17H13BrN4O2/c18-15-6-19-5-14-13(15)3-4-21(17(14)24)8-12-9-22-7-11(10-23)1-2-16(22)20-12/h1-7,9-10,17,24H,8H2
InChIKeyAYQINBNDBHPLOY-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.78
Rot. Bonds3

About 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 168970914) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID168970914
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(CN3C=Cc4c(Br)cncc4C3O)cn2c1
InChIInChI=1S/C17H13BrN4O2/c18-15-6-19-5-14-13(15)3-4-21(17(14)24)8-12-9-22-7-11(10-23)1-2-16(22)20-12/h1-7,9-10,17,24H,8H2
InChIKeyAYQINBNDBHPLOY-UHFFFAOYSA-N
XLogP2.78
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 168970914) is 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(CN3C=Cc4c(Br)cncc4C3O)cn2c1.
What is the InChIKey of 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is AYQINBNDBHPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c18-15-6-19-5-14-13(15)3-4-21(17(14)24)8-12-9-22-7-11(10-23)1-2-16(22)20-12/h1-7,9-10,17,24H,8H2.
What are the key properties of 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 385.22 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-hydroxy-1H-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 168970914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).