(5-fluoro-2-pyridinyl)-trihydroxyboranuide

C5H6BFNO3- — CID 56973083

IUPAC(5-fluoro-2-pyridinyl)-trihydroxyboranuide
SMILESO[B-](O)(O)c1ccc(F)cn1
InChIInChI=1S/C5H6BFNO3/c7-4-1-2-5(8-3-4)6(9,10)11/h1-3,9-11H/q-1
InChIKeyPDSSLLLBYSPLKB-UHFFFAOYSA-N
MW157.92 g/mol
LogP-1.66
Rot. Bonds1

About (5-fluoro-2-pyridinyl)-trihydroxyboranuide

(5-fluoro-2-pyridinyl)-trihydroxyboranuide (PubChem CID 56973083) has the molecular formula C5H6BFNO3- and a molecular weight of 157.92 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-trihydroxyboranuide.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-trihydroxyboranuide
PubChem CID56973083
Molecular FormulaC5H6BFNO3-
Molecular Weight157.92 g/mol
Exact Mass158.04
IUPAC Name(5-fluoro-2-pyridinyl)-trihydroxyboranuide
SMILESO[B-](O)(O)c1ccc(F)cn1
InChIInChI=1S/C5H6BFNO3/c7-4-1-2-5(8-3-4)6(9,10)11/h1-3,9-11H/q-1
InChIKeyPDSSLLLBYSPLKB-UHFFFAOYSA-N
XLogP-1.66
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.92
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide
CID 46739285
lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
CID 53216963
5-fluoro-2-methylpyridine;methanol;hydrochloride
CID 142285240
(5-fluoro-2-pyridinyl)boronic acid
CID 22832110
2,5-difluoropyridine;ethane
CID 156832194
(5-fluoro-2-pyridinyl)phosphane
CID 135162102
5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
(5-fluoro-2-pyridinyl)oxyboronic acid
CID 142768845
5-fluoro-2-(4-fluoro-3H-1,2,4-triazol-2-yl)pyridine
CID 140855121
5-fluoro-2-(1-fluoro-2-iodoethenyl)pyridine
CID 135126477
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-trihydroxyboranuide?
The IUPAC name of (5-fluoro-2-pyridinyl)-trihydroxyboranuide (CID 56973083) is (5-fluoro-2-pyridinyl)-trihydroxyboranuide.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-trihydroxyboranuide?
The canonical SMILES for (5-fluoro-2-pyridinyl)-trihydroxyboranuide is O[B-](O)(O)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-trihydroxyboranuide?
The InChIKey is PDSSLLLBYSPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BFNO3/c7-4-1-2-5(8-3-4)6(9,10)11/h1-3,9-11H/q-1.
What are the key properties of (5-fluoro-2-pyridinyl)-trihydroxyboranuide?
(5-fluoro-2-pyridinyl)-trihydroxyboranuide has a molecular weight of 157.92 g/mol, XLogP of -1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-trihydroxyboranuide is sourced from PubChem (CID 56973083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).