8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid

C28H24BBrN6O4 — CID 158290002

IUPAC8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid
SMILESCOc1ccc2nccc(-c3ccncc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccncc1
InChIInChI=1S/C14H11N3O.C9H7BrN2O.C5H6BNO2/c1-18-13-3-2-12-14(17-13)11(6-9-16-12)10-4-7-15-8-5-10;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-6(9)5-1-3-7-4-2-5/h2-9H,1H3;2-5H,1H3;1-4,8-9H
InChIKeyGLFUWMLULSKNNC-UHFFFAOYSA-N
MW599.25 g/mol
LogP3.86
Rot. Bonds4

About 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid

8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid (PubChem CID 158290002) has the molecular formula C28H24BBrN6O4 and a molecular weight of 599.25 g/mol. Its IUPAC name is 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid.

Molecular Properties

Compound Name8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid
PubChem CID158290002
Molecular FormulaC28H24BBrN6O4
Molecular Weight599.25 g/mol
Exact Mass598.11
IUPAC Name8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid
SMILESCOc1ccc2nccc(-c3ccncc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccncc1
InChIInChI=1S/C14H11N3O.C9H7BrN2O.C5H6BNO2/c1-18-13-3-2-12-14(17-13)11(6-9-16-12)10-4-7-15-8-5-10;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-6(9)5-1-3-7-4-2-5/h2-9H,1H3;2-5H,1H3;1-4,8-9H
InChIKeyGLFUWMLULSKNNC-UHFFFAOYSA-N
XLogP3.86
TPSA136.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685081
N-[(4-bromo-2,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164620156
N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625157
N-[(4-bromo-3,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625382
N-[(4-bromo-2,3-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625458
3-(4-Bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 132849963
3-(2-Bromophenyl)-1-(4-methoxyphenyl)-2-methylbenzo[f][1,7]naphthyridine
CID 137637762
3-(2-Bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137642661
N-(5-bromo-5'-fluoro-2'-methoxy-2,4'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631176
N-(5-bromo-6'-methoxy-2,3'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)-quinolin-4-amine
CID 59631310
7-Fluoro-2-(methyloxy)-8-(4-pyridinyl)-1,5-naphthyridine
CID 68518555
8-Bromo-7-fluoro-2-methoxy-4-methyl-1,5-naphthyridine
CID 71152825

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid?
The IUPAC name of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid (CID 158290002) is 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid.
What is the SMILES notation for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid?
The canonical SMILES for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid is COc1ccc2nccc(-c3ccncc3)c2n1.COc1ccc2nccc(Br)c2n1.OB(O)c1ccncc1.
What is the InChIKey of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid?
The InChIKey is GLFUWMLULSKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.C9H7BrN2O.C5H6BNO2/c1-18-13-3-2-12-14(17-13)11(6-9-16-12)10-4-7-15-8-5-10;1-13-8-3-2-7-9(12-8)6(10)4-5-11-7;8-6(9)5-1-3-7-4-2-5/h2-9H,1H3;2-5H,1H3;1-4,8-9H.
What are the key properties of 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid?
8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid has a molecular weight of 599.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methoxy-1,5-naphthyridine;2-methoxy-8-pyridin-4-yl-1,5-naphthyridine;pyridin-4-ylboronic acid is sourced from PubChem (CID 158290002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).