trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide

C12H10BF3NO- — CID 63678085

IUPACtrifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C12H10BF3NO/c14-13(15,16)11-4-1-5-12(7-11)18-9-10-3-2-6-17-8-10/h1-8H,9H2/q-1
InChIKeyUBUIBEIPYQFERE-UHFFFAOYSA-N
MW252.02 g/mol
LogP2.71
Rot. Bonds4

About trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide

trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide (PubChem CID 63678085) has the molecular formula C12H10BF3NO- and a molecular weight of 252.02 g/mol. Its IUPAC name is trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
PubChem CID63678085
Molecular FormulaC12H10BF3NO-
Molecular Weight252.02 g/mol
Exact Mass252.08
IUPAC Nametrifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C12H10BF3NO/c14-13(15,16)11-4-1-5-12(7-11)18-9-10-3-2-6-17-8-10/h1-8H,9H2/q-1
InChIKeyUBUIBEIPYQFERE-UHFFFAOYSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
[3-[(4-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678280
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982175
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
trifluoro-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 104706185
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide (CID 63678085) is trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide is F[B-](F)(F)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide?
The InChIKey is UBUIBEIPYQFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BF3NO/c14-13(15,16)11-4-1-5-12(7-11)18-9-10-3-2-6-17-8-10/h1-8H,9H2/q-1.
What are the key properties of trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide?
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide has a molecular weight of 252.02 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 63678085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).