potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine

C7H6F3KN2 — CID 172569610

IUPACpotassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine
SMILESCc1nc(N)c[c-]c1C(F)(F)F.[K+]
InChIInChI=1S/C7H6F3N2.K/c1-4-5(7(8,9)10)2-3-6(11)12-4;/h3H,1H3,(H2,11,12);/q-1;+1
InChIKeyUITHRWAJMSGNLD-UHFFFAOYSA-N
MW214.23 g/mol
LogP-1.20
Rot. Bonds

About potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine

potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine (PubChem CID 172569610) has the molecular formula C7H6F3KN2 and a molecular weight of 214.23 g/mol. Its IUPAC name is potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine.

Molecular Properties

Compound Namepotassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine
PubChem CID172569610
Molecular FormulaC7H6F3KN2
Molecular Weight214.23 g/mol
Exact Mass214.01
IUPAC Namepotassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine
SMILESCc1nc(N)c[c-]c1C(F)(F)F.[K+]
InChIInChI=1S/C7H6F3N2.K/c1-4-5(7(8,9)10)2-3-6(11)12-4;/h3H,1H3,(H2,11,12);/q-1;+1
InChIKeyUITHRWAJMSGNLD-UHFFFAOYSA-N
XLogP-1.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-1.20
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 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine?
The IUPAC name of potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine (CID 172569610) is potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine.
What is the SMILES notation for potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine?
The canonical SMILES for potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine is Cc1nc(N)c[c-]c1C(F)(F)F.[K+].
What is the InChIKey of potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine?
The InChIKey is UITHRWAJMSGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N2.K/c1-4-5(7(8,9)10)2-3-6(11)12-4;/h3H,1H3,(H2,11,12);/q-1;+1.
What are the key properties of potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine?
potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine has a molecular weight of 214.23 g/mol, XLogP of -1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-methyl-5-(trifluoromethyl)-4H-pyridin-4-id-2-amine is sourced from PubChem (CID 172569610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).