3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine

C20H15Br3N4O — CID 158521468

IUPAC3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine
SMILESBrc1cnc2cc(Br)cnc2c1.CCOC=Cc1cnc2cc(Br)cnc2c1
InChIInChI=1S/C12H11BrN2O.C8H4Br2N2/c1-2-16-4-3-9-5-11-12(14-7-9)6-10(13)8-15-11;9-5-1-7-8(12-3-5)2-6(10)4-11-7/h3-8H,2H2,1H3;1-4H
InChIKeyHMGPEAQKRZVXKA-UHFFFAOYSA-N
MW567.08 g/mol
LogP6.55
Rot. Bonds3

About 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine

3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine (PubChem CID 158521468) has the molecular formula C20H15Br3N4O and a molecular weight of 567.08 g/mol. Its IUPAC name is 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine
PubChem CID158521468
Molecular FormulaC20H15Br3N4O
Molecular Weight567.08 g/mol
Exact Mass563.88
IUPAC Name3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine
SMILESBrc1cnc2cc(Br)cnc2c1.CCOC=Cc1cnc2cc(Br)cnc2c1
InChIInChI=1S/C12H11BrN2O.C8H4Br2N2/c1-2-16-4-3-9-5-11-12(14-7-9)6-10(13)8-15-11;9-5-1-7-8(12-3-5)2-6(10)4-11-7/h3-8H,2H2,1H3;1-4H
InChIKeyHMGPEAQKRZVXKA-UHFFFAOYSA-N
XLogP6.55
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.08
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-ethoxyethenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 135062439
2-(7-bromo-1,5-naphthyridin-3-yl)acetaldehyde
CID 21043926
7-bromo-3-ethylpyrido[2,3-b]pyrazine
CID 175916445
5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
CID 146404070
3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine
CID 139490427
5-(2-ethoxyethenyl)pyrazin-2-amine
CID 123865887
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
5-bromo-7-[(E)-2-ethoxyethenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 177177894
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
4-(2-ethoxyethenyl)benzonitrile
CID 131843899
1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 150613508
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine?
The IUPAC name of 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine (CID 158521468) is 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine?
The canonical SMILES for 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine is Brc1cnc2cc(Br)cnc2c1.CCOC=Cc1cnc2cc(Br)cnc2c1.
What is the InChIKey of 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine?
The InChIKey is HMGPEAQKRZVXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O.C8H4Br2N2/c1-2-16-4-3-9-5-11-12(14-7-9)6-10(13)8-15-11;9-5-1-7-8(12-3-5)2-6(10)4-11-7/h3-8H,2H2,1H3;1-4H.
What are the key properties of 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine?
3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine has a molecular weight of 567.08 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine is sourced from PubChem (CID 158521468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).