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

C19H17Br3N6O5 — CID 159074893

IUPAC2-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
SMILESBrBr.Nc1ncccc1O.O=C1COc2cc(Br)cnc2N1.O=C1COc2cccnc2N1
InChIInChI=1S/C7H5BrN2O2.C7H6N2O2.C5H6N2O.Br2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5;10-6-4-11-5-2-1-3-8-7(5)9-6;6-5-4(8)2-1-3-7-5;1-2/h1-2H,3H2,(H,9,10,11);1-3H,4H2,(H,8,9,10);1-3,8H,(H2,6,7);
InChIKeyKACVQLQOBNWKIR-UHFFFAOYSA-N
MW649.09 g/mol
LogP3.65
Rot. Bonds

About 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

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 (PubChem CID 159074893) has the molecular formula C19H17Br3N6O5 and a molecular weight of 649.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159074893
Molecular FormulaC19H17Br3N6O5
Molecular Weight649.09 g/mol
Exact Mass645.88
IUPAC Name2-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
SMILESBrBr.Nc1ncccc1O.O=C1COc2cc(Br)cnc2N1.O=C1COc2cccnc2N1
InChIInChI=1S/C7H5BrN2O2.C7H6N2O2.C5H6N2O.Br2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5;10-6-4-11-5-2-1-3-8-7(5)9-6;6-5-4(8)2-1-3-7-5;1-2/h1-2H,3H2,(H,9,10,11);1-3H,4H2,(H,8,9,10);1-3,8H,(H2,6,7);
InChIKeyKACVQLQOBNWKIR-UHFFFAOYSA-N
XLogP3.65
TPSA161.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.09
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is BrBr.Nc1ncccc1O.O=C1COc2cc(Br)cnc2N1.O=C1COc2cccnc2N1.
What is the InChIKey of 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?
The InChIKey is KACVQLQOBNWKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2.C7H6N2O2.C5H6N2O.Br2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5;10-6-4-11-5-2-1-3-8-7(5)9-6;6-5-4(8)2-1-3-7-5;1-2/h1-2H,3H2,(H,9,10,11);1-3H,4H2,(H,8,9,10);1-3,8H,(H2,6,7);.
What are the key properties of 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?
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 has a molecular weight of 649.09 g/mol, XLogP of 3.65, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159074893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).