trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide

C13H12BF3NO- — CID 115982170

IUPACtrifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccnc1COc1ccccc1[B-](F)(F)F
InChIInChI=1S/C13H12BF3NO/c1-10-5-4-8-18-12(10)9-19-13-7-3-2-6-11(13)14(15,16)17/h2-8H,9H2,1H3/q-1
InChIKeyRHYZQZVAXBEROE-UHFFFAOYSA-N
MW266.05 g/mol
LogP3.02
Rot. Bonds4

About trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide

trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide (PubChem CID 115982170) has the molecular formula C13H12BF3NO- and a molecular weight of 266.05 g/mol. Its IUPAC name is trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
PubChem CID115982170
Molecular FormulaC13H12BF3NO-
Molecular Weight266.05 g/mol
Exact Mass266.10
IUPAC Nametrifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccnc1COc1ccccc1[B-](F)(F)F
InChIInChI=1S/C13H12BF3NO/c1-10-5-4-8-18-12(10)9-19-13-7-3-2-6-11(13)14(15,16)17/h2-8H,9H2,1H3/q-1
InChIKeyRHYZQZVAXBEROE-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 53.02
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

2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
(NZ)-N-[1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 112650504
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982175
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The IUPAC name of trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide (CID 115982170) is trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide.
What is the SMILES notation for trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The canonical SMILES for trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide is Cc1cccnc1COc1ccccc1[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The InChIKey is RHYZQZVAXBEROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BF3NO/c1-10-5-4-8-18-12(10)9-19-13-7-3-2-6-11(13)14(15,16)17/h2-8H,9H2,1H3/q-1.
What are the key properties of trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide has a molecular weight of 266.05 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 115982170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).