potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine

C10H15F3KN2- — CID 164922491

IUPACpotassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine
SMILESCC.Cc1cc(N)n[c-]c1C(F)(F)F.[CH3-].[K+]
InChIInChI=1S/C7H6F3N2.C2H6.CH3.K/c1-4-2-6(11)12-3-5(4)7(8,9)10;1-2;;/h2H,1H3,(H2,11,12);1-2H3;1H3;/q-1;;-1;+1
InChIKeyBTLNKVRSHPUKAD-UHFFFAOYSA-N
MW259.34 g/mol
LogP0.27
Rot. Bonds

About potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine

potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine (PubChem CID 164922491) has the molecular formula C10H15F3KN2- and a molecular weight of 259.34 g/mol. Its IUPAC name is potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine.

Molecular Properties

Compound Namepotassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine
PubChem CID164922491
Molecular FormulaC10H15F3KN2-
Molecular Weight259.34 g/mol
Exact Mass259.08
IUPAC Namepotassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine
SMILESCC.Cc1cc(N)n[c-]c1C(F)(F)F.[CH3-].[K+]
InChIInChI=1S/C7H6F3N2.C2H6.CH3.K/c1-4-2-6(11)12-3-5(4)7(8,9)10;1-2;;/h2H,1H3,(H2,11,12);1-2H3;1H3;/q-1;;-1;+1
InChIKeyBTLNKVRSHPUKAD-UHFFFAOYSA-N
XLogP0.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine?
The IUPAC name of potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine (CID 164922491) is potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine.
What is the SMILES notation for potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine?
The canonical SMILES for potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine is CC.Cc1cc(N)n[c-]c1C(F)(F)F.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine?
The InChIKey is BTLNKVRSHPUKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N2.C2H6.CH3.K/c1-4-2-6(11)12-3-5(4)7(8,9)10;1-2;;/h2H,1H3,(H2,11,12);1-2H3;1H3;/q-1;;-1;+1.
What are the key properties of potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine?
potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine has a molecular weight of 259.34 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine is sourced from PubChem (CID 164922491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).