trihydroxy(quinolin-1-ium-8-yl)boranuide

C9H10BNO3 — CID 122385119

IUPACtrihydroxy(quinolin-1-ium-8-yl)boranuide
SMILESO[B-](O)(O)c1cccc2ccc[nH+]c12
InChIInChI=1S/C9H9BNO3/c12-10(13,14)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-14H/q-1/p+1
InChIKeyCRLBBDBMFKKYCE-UHFFFAOYSA-O
MW191.00 g/mol
LogP-1.22
Rot. Bonds1

About trihydroxy(quinolin-1-ium-8-yl)boranuide

trihydroxy(quinolin-1-ium-8-yl)boranuide (PubChem CID 122385119) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is trihydroxy(quinolin-1-ium-8-yl)boranuide.

Molecular Properties

Compound Nametrihydroxy(quinolin-1-ium-8-yl)boranuide
PubChem CID122385119
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC Nametrihydroxy(quinolin-1-ium-8-yl)boranuide
SMILESO[B-](O)(O)c1cccc2ccc[nH+]c12
InChIInChI=1S/C9H9BNO3/c12-10(13,14)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-14H/q-1/p+1
InChIKeyCRLBBDBMFKKYCE-UHFFFAOYSA-O
XLogP-1.22
TPSA74.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium quinolin-1-ium-8-ol
CID 166010386
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
phthalate;bis(quinolin-1-ium-8-ol)
CID 163359214
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
CID 140801003
CID 175727242
CID 175727242
7-nonylquinolin-1-ium-8-ol
CID 5063082
8-(6-quinolin-1-ium-8-yl-2-pyridinyl)quinoline;trifluoromethanesulfonate
CID 139137626
2-carboxyphenolate;1,10-phenanthrolin-10-ium
CID 54696347
butyl(trinaphthalen-1-yl)boranuide;tetraethylazanium
CID 142702935
3-(benzo[b][1,10]phenanthrolin-1-ium-7-ylamino)propyl-(2-chloroethyl)azanium
CID 24848196
7-[(4-fluorophenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-1-ium-8-ol
CID 4748932

Frequently Asked Questions

What is the IUPAC name of trihydroxy(quinolin-1-ium-8-yl)boranuide?
The IUPAC name of trihydroxy(quinolin-1-ium-8-yl)boranuide (CID 122385119) is trihydroxy(quinolin-1-ium-8-yl)boranuide.
What is the SMILES notation for trihydroxy(quinolin-1-ium-8-yl)boranuide?
The canonical SMILES for trihydroxy(quinolin-1-ium-8-yl)boranuide is O[B-](O)(O)c1cccc2ccc[nH+]c12.
What is the InChIKey of trihydroxy(quinolin-1-ium-8-yl)boranuide?
The InChIKey is CRLBBDBMFKKYCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9BNO3/c12-10(13,14)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-14H/q-1/p+1.
What are the key properties of trihydroxy(quinolin-1-ium-8-yl)boranuide?
trihydroxy(quinolin-1-ium-8-yl)boranuide has a molecular weight of 191.00 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(quinolin-1-ium-8-yl)boranuide is sourced from PubChem (CID 122385119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).