pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid

C14H9BN4O2 — CID 162715170

IUPACpyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid
SMILESOB(O)c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H9BN4O2/c20-15(21)8-6-10-13-11(17-4-5-18-13)9-2-1-3-16-12(9)14(10)19-7-8/h1-7,20-21H
InChIKeySTGFAPDBLWFJQL-UHFFFAOYSA-N
MW276.06 g/mol
LogP0.41
Rot. Bonds1

About pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid

pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid (PubChem CID 162715170) has the molecular formula C14H9BN4O2 and a molecular weight of 276.06 g/mol. Its IUPAC name is pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid.

Molecular Properties

Compound Namepyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid
PubChem CID162715170
Molecular FormulaC14H9BN4O2
Molecular Weight276.06 g/mol
Exact Mass276.08
IUPAC Namepyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid
SMILESOB(O)c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H9BN4O2/c20-15(21)8-6-10-13-11(17-4-5-18-13)9-2-1-3-16-12(9)14(10)19-7-8/h1-7,20-21H
InChIKeySTGFAPDBLWFJQL-UHFFFAOYSA-N
XLogP0.41
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,7-phenanthrolin-9-ylboronic acid
CID 175292482
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
(8-fluoroquinolin-3-yl)boronic acid
CID 67114195
(5-methylquinolin-8-yl)boronic acid
CID 59606741
[9,10-bis(8-tritiooxyquinolin-5-yl)anthracen-2-yl]boronic acid;bis(dimethylborinothioic acid)
CID 158431816
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
pyrido[3,2-h]quinazolin-2-ylboronic acid
CID 154048315
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049

Frequently Asked Questions

What is the IUPAC name of pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid?
The IUPAC name of pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid (CID 162715170) is pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid.
What is the SMILES notation for pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid?
The canonical SMILES for pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid is OB(O)c1cnc2c(c1)c1nccnc1c1cccnc12.
What is the InChIKey of pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid?
The InChIKey is STGFAPDBLWFJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BN4O2/c20-15(21)8-6-10-13-11(17-4-5-18-13)9-2-1-3-16-12(9)14(10)19-7-8/h1-7,20-21H.
What are the key properties of pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid?
pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid has a molecular weight of 276.06 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[2,3-f][1,10]phenanthrolin-6-ylboronic acid is sourced from PubChem (CID 162715170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).