acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium

C47H56BBr7N10O14Pd — CID 159646922

IUPACacetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium
SMILESBrBr.BrBr.CC(=O)O.CC(=O)O.CN1C(=O)COc2c(Br)ccnc21.CN1C(=O)COc2c(C3CC3)ccnc21.CN1C(=O)COc2c1ncc(Br)c2C1CC1.Nc1nccc(Br)c1O.Nc1ncccc1O.OB(O)C1CC1.[Pd]
InChIInChI=1S/C11H11BrN2O2.C11H12N2O2.C8H7BrN2O2.C5H5BrN2O.C5H6N2O.C3H7BO2.2C2H4O2.2Br2.Pd/c1-14-8(15)5-16-10-9(6-2-3-6)7(12)4-13-11(10)14;1-13-9(14)6-15-10-8(7-2-3-7)4-5-12-11(10)13;1-11-6(12)4-13-7-5(9)2-3-10-8(7)11;6-3-1-2-8-5(7)4(3)9;6-5-4(8)2-1-3-7-5;5-4(6)3-1-2-3;2*1-2(3)4;2*1-2;/h4,6H,2-3,5H2,1H3;4-5,7H,2-3,6H2,1H3;2-3H,4H2,1H3;1-2,9H,(H2,7,8);1-3,8H,(H2,6,7);3,5-6H,1-2H2;2*1H3,(H,3,4);;;
InChIKeyQCKBKINHHMZPBU-UHFFFAOYSA-N
MW1661.58 g/mol
LogP9.28
Rot. Bonds3

About acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium

acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium (PubChem CID 159646922) has the molecular formula C47H56BBr7N10O14Pd and a molecular weight of 1661.58 g/mol. Its IUPAC name is acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium.

Molecular Properties

Compound Nameacetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium
PubChem CID159646922
Molecular FormulaC47H56BBr7N10O14Pd
Molecular Weight1661.58 g/mol
Exact Mass1653.74
IUPAC Nameacetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium
SMILESBrBr.BrBr.CC(=O)O.CC(=O)O.CN1C(=O)COc2c(Br)ccnc21.CN1C(=O)COc2c(C3CC3)ccnc21.CN1C(=O)COc2c1ncc(Br)c2C1CC1.Nc1nccc(Br)c1O.Nc1ncccc1O.OB(O)C1CC1.[Pd]
InChIInChI=1S/C11H11BrN2O2.C11H12N2O2.C8H7BrN2O2.C5H5BrN2O.C5H6N2O.C3H7BO2.2C2H4O2.2Br2.Pd/c1-14-8(15)5-16-10-9(6-2-3-6)7(12)4-13-11(10)14;1-13-9(14)6-15-10-8(7-2-3-7)4-5-12-11(10)13;1-11-6(12)4-13-7-5(9)2-3-10-8(7)11;6-3-1-2-8-5(7)4(3)9;6-5-4(8)2-1-3-7-5;5-4(6)3-1-2-3;2*1-2(3)4;2*1-2;/h4,6H,2-3,5H2,1H3;4-5,7H,2-3,6H2,1H3;2-3H,4H2,1H3;1-2,9H,(H2,7,8);1-3,8H,(H2,6,7);3,5-6H,1-2H2;2*1H3,(H,3,4);;;
InChIKeyQCKBKINHHMZPBU-UHFFFAOYSA-N
XLogP9.28
TPSA360.63 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.58
LogP ≤ 59.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium with MolForge

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Launch Full Analysis

Related Compounds

6-[5-(1-acetylpiperidin-4-yl)oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;5-bromopyridin-3-ol;1-[4-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl 6-[5-(1-acetylpiperidin-4-yl)oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;1-(4-hydroxypiperidin-1-yl)ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
CID 158130897
Bis(2-bromo-5-phenylmethoxypyridine);tert-butyl 4-(5-hydroxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-phenylmethoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane;6-piperazin-1-ylpyridin-3-ol
CID 158192183
6-[5-[(3R)-1-acetylpiperidin-3-yl]oxy-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-[(3R)-piperidin-3-yl]oxypyridine;5-bromopyridin-3-ol;1-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidin-1-yl]ethanone;tert-butyl (3R)-3-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 158826428
6-Bromopyridin-3-ol;tert-butyl 4-[(6-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylate;bis(tert-butyl 4-[(6-piperidin-1-yl-3-pyridinyl)oxymethyl]piperidine-1-carboxylate)
CID 159023009
2-aminopyridin-3-ol;7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159074893
Bis(2-bromo-5-phenylmethoxypyridine);tert-butyl 4-(5-hydroxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-phenylmethoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-piperazin-1-ylpyridin-3-ol
CID 159221570
2-aminopyridin-3-ol;7-bromo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one;tert-butyl (E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoate;ethyl 2-bromo-3-methylbutanoate;(E)-3-(3-oxo-2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enoic acid;2-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159453879
7-(1-aminopropyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one;7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)propan-1-amine;4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 160128555

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium?
The IUPAC name of acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium (CID 159646922) is acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium.
What is the SMILES notation for acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium?
The canonical SMILES for acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium is BrBr.BrBr.CC(=O)O.CC(=O)O.CN1C(=O)COc2c(Br)ccnc21.CN1C(=O)COc2c(C3CC3)ccnc21.CN1C(=O)COc2c1ncc(Br)c2C1CC1.Nc1nccc(Br)c1O.Nc1ncccc1O.OB(O)C1CC1.[Pd].
What is the InChIKey of acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium?
The InChIKey is QCKBKINHHMZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2.C11H12N2O2.C8H7BrN2O2.C5H5BrN2O.C5H6N2O.C3H7BO2.2C2H4O2.2Br2.Pd/c1-14-8(15)5-16-10-9(6-2-3-6)7(12)4-13-11(10)14;1-13-9(14)6-15-10-8(7-2-3-7)4-5-12-11(10)13;1-11-6(12)4-13-7-5(9)2-3-10-8(7)11;6-3-1-2-8-5(7)4(3)9;6-5-4(8)2-1-3-7-5;5-4(6)3-1-2-3;2*1-2(3)4;2*1-2;/h4,6H,2-3,5H2,1H3;4-5,7H,2-3,6H2,1H3;2-3H,4H2,1H3;1-2,9H,(H2,7,8);1-3,8H,(H2,6,7);3,5-6H,1-2H2;2*1H3,(H,3,4);;;.
What are the key properties of acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium?
acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium has a molecular weight of 1661.58 g/mol, XLogP of 9.28, 3 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-4-bromopyridin-3-ol;2-aminopyridin-3-ol;7-bromo-8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;8-bromo-4-methylpyrido[3,2-b][1,4]oxazin-3-one;cyclopropylboronic acid;8-cyclopropyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one;molecular bromine;palladium is sourced from PubChem (CID 159646922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).