sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C10H6F3N2NaO2S — CID 112758001

IUPACsodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)[O-])c(N)c12.[Na+]
InChIInChI=1S/C10H7F3N2O2S.Na/c1-3-2-4(10(11,12)13)15-8-5(3)6(14)7(18-8)9(16)17;/h2H,14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyMCTGNQUVMFSUGC-UHFFFAOYSA-M
MW298.22 g/mol
LogP-1.43
Rot. Bonds1

About sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 112758001) has the molecular formula C10H6F3N2NaO2S and a molecular weight of 298.22 g/mol. Its IUPAC name is sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID112758001
Molecular FormulaC10H6F3N2NaO2S
Molecular Weight298.22 g/mol
Exact Mass298.00
IUPAC Namesodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(C(F)(F)F)nc2sc(C(=O)[O-])c(N)c12.[Na+]
InChIInChI=1S/C10H7F3N2O2S.Na/c1-3-2-4(10(11,12)13)15-8-5(3)6(14)7(18-8)9(16)17;/h2H,14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyMCTGNQUVMFSUGC-UHFFFAOYSA-M
XLogP-1.43
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 112758001) is sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is Cc1cc(C(F)(F)F)nc2sc(C(=O)[O-])c(N)c12.[Na+].
What is the InChIKey of sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MCTGNQUVMFSUGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7F3N2O2S.Na/c1-3-2-4(10(11,12)13)15-8-5(3)6(14)7(18-8)9(16)17;/h2H,14H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 298.22 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 112758001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).