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

C13H12BF3KNO — CID 115982175

IUPACpotassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccnc1COc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H12BF3NO.K/c1-10-4-3-7-18-13(10)9-19-12-6-2-5-11(8-12)14(15,16)17;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyRDXDARWLJNZQNZ-UHFFFAOYSA-N
MW305.15 g/mol
LogP0.03
Rot. Bonds4

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

potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide (PubChem CID 115982175) has the molecular formula C13H12BF3KNO and a molecular weight of 305.15 g/mol. Its IUPAC name is potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
PubChem CID115982175
Molecular FormulaC13H12BF3KNO
Molecular Weight305.15 g/mol
Exact Mass305.06
IUPAC Namepotassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
SMILESCc1cccnc1COc1cccc([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H12BF3NO.K/c1-10-4-3-7-18-13(10)9-19-12-6-2-5-11(8-12)14(15,16)17;/h2-8H,9H2,1H3;/q-1;+1
InChIKeyRDXDARWLJNZQNZ-UHFFFAOYSA-N
XLogP0.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 50.03
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

trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
CID 112650495
trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982170
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
4-[(3-methyl-2-pyridinyl)methoxy]-1H-pyridin-2-one
CID 152538105
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide (CID 115982175) is potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide is Cc1cccnc1COc1cccc([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
The InChIKey is RDXDARWLJNZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BF3NO.K/c1-10-4-3-7-18-13(10)9-19-12-6-2-5-11(8-12)14(15,16)17;/h2-8H,9H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide?
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide has a molecular weight of 305.15 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 115982175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).