potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide

C10H13BF3KN2 — CID 106745747

IUPACpotassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1ccncc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3N2.K/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10;/h3-6H,1,7-8H2,2H3;/q-1;+1
InChIKeyONNVLMBFPDHTNJ-UHFFFAOYSA-N
MW268.13 g/mol
LogP-0.54
Rot. Bonds5

About potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745747) has the molecular formula C10H13BF3KN2 and a molecular weight of 268.13 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745747
Molecular FormulaC10H13BF3KN2
Molecular Weight268.13 g/mol
Exact Mass268.08
IUPAC Namepotassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)Cc1ccncc1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H13BF3N2.K/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10;/h3-6H,1,7-8H2,2H3;/q-1;+1
InChIKeyONNVLMBFPDHTNJ-UHFFFAOYSA-N
XLogP-0.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 5-0.54
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-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745748
trifluoro-[3-[methyl(pyridin-3-ylmethyl)amino]prop-1-en-2-yl]boranuide
CID 106745744
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 79259077
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide (CID 106745747) is potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)Cc1ccncc1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is ONNVLMBFPDHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3N2.K/c1-9(11(12,13)14)7-16(2)8-10-3-5-15-6-4-10;/h3-6H,1,7-8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 268.13 g/mol, XLogP of -0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl(pyridin-4-ylmethyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).