potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide

C13H11BF4KNO — CID 114674951

IUPACpotassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2cc([B-](F)(F)F)ccc2F)n1.[K+]
InChIInChI=1S/C13H11BF4NO.K/c1-9-3-2-4-11(19-9)8-20-13-7-10(14(16,17)18)5-6-12(13)15;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyOUQFDGZAAHGKHL-UHFFFAOYSA-N
MW323.14 g/mol
LogP0.17
Rot. Bonds4

About potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide

potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide (PubChem CID 114674951) has the molecular formula C13H11BF4KNO and a molecular weight of 323.14 g/mol. Its IUPAC name is potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
PubChem CID114674951
Molecular FormulaC13H11BF4KNO
Molecular Weight323.14 g/mol
Exact Mass323.05
IUPAC Namepotassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccc(COc2cc([B-](F)(F)F)ccc2F)n1.[K+]
InChIInChI=1S/C13H11BF4NO.K/c1-9-3-2-4-11(19-9)8-20-13-7-10(14(16,17)18)5-6-12(13)15;/h2-7H,8H2,1H3;/q-1;+1
InChIKeyOUQFDGZAAHGKHL-UHFFFAOYSA-N
XLogP0.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 50.17
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

potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 79263387
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-4-fluorophenyl]-trifluoroboranuide
CID 114675060
potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 114674917
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine
CID 126955092
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide (CID 114674951) is potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide is Cc1cccc(COc2cc([B-](F)(F)F)ccc2F)n1.[K+].
What is the InChIKey of potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The InChIKey is OUQFDGZAAHGKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF4NO.K/c1-9-3-2-4-11(19-9)8-20-13-7-10(14(16,17)18)5-6-12(13)15;/h2-7H,8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide has a molecular weight of 323.14 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 114674951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).