8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine

C16H9Br3N4O — CID 160750416

IUPAC8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine
SMILESBrc1ccc2nccc(Br)c2n1.O=c1ccc2nccc(Br)c2[nH]1
InChIInChI=1S/C8H4Br2N2.C8H5BrN2O/c9-5-3-4-11-6-1-2-7(10)12-8(5)6;9-5-3-4-10-6-1-2-7(12)11-8(5)6/h1-4H;1-4H,(H,11,12)
InChIKeyRWSXJFVBGYXLFI-UHFFFAOYSA-N
MW512.99 g/mol
LogP4.84
Rot. Bonds

About 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine

8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine (PubChem CID 160750416) has the molecular formula C16H9Br3N4O and a molecular weight of 512.99 g/mol. Its IUPAC name is 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine.

Molecular Properties

Compound Name8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine
PubChem CID160750416
Molecular FormulaC16H9Br3N4O
Molecular Weight512.99 g/mol
Exact Mass509.83
IUPAC Name8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine
SMILESBrc1ccc2nccc(Br)c2n1.O=c1ccc2nccc(Br)c2[nH]1
InChIInChI=1S/C8H4Br2N2.C8H5BrN2O/c9-5-3-4-11-6-1-2-7(10)12-8(5)6;9-5-3-4-10-6-1-2-7(12)11-8(5)6/h1-4H;1-4H,(H,11,12)
InChIKeyRWSXJFVBGYXLFI-UHFFFAOYSA-N
XLogP4.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.99
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-N-(3-quinolinyl)acrylamide
CID 998416
N-[3-[(7-bromo-1,5-naphthyridin-4-yl)amino]propyl]acetamide
CID 91660910
1-[2-(4-{[(5-Bromo-2-pyridinyl)methyl]amino}-1-piperidinyl)ethyl]-7-fluoro-1,5-naphthyridin-2(1h)-one
CID 44129676
1-[2-[4-[(5-Bromo-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 68856400
(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26691595
7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine
CID 114254949
2-[(7-bromo-1,5-naphthyridin-4-yl)-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 133481501
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 133482187
1-(7-bromo-1,5-naphthyridin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133482752
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 133482907
(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29291437
1-[2-[4-[(6-Bromo-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194468

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine?
The IUPAC name of 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine (CID 160750416) is 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine.
What is the SMILES notation for 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine?
The canonical SMILES for 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine is Brc1ccc2nccc(Br)c2n1.O=c1ccc2nccc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine?
The InChIKey is RWSXJFVBGYXLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2.C8H5BrN2O/c9-5-3-4-11-6-1-2-7(10)12-8(5)6;9-5-3-4-10-6-1-2-7(12)11-8(5)6/h1-4H;1-4H,(H,11,12).
What are the key properties of 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine?
8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine has a molecular weight of 512.99 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1H-1,5-naphthyridin-2-one;2,8-dibromo-1,5-naphthyridine is sourced from PubChem (CID 160750416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).