methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate

C11H10F3N2O2S+ — CID 3341332

IUPACmethyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate
SMILESCOC(=O)c1sc2[nH+]c(C)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C11H9F3N2O2S/c1-4-3-5(11(12,13)14)6-7(15)8(10(17)18-2)19-9(6)16-4/h3H,15H2,1-2H3/p+1
InChIKeyONQKNXVMVAMILB-UHFFFAOYSA-O
MW291.27 g/mol
LogP2.41
Rot. Bonds1

About methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate

methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate (PubChem CID 3341332) has the molecular formula C11H10F3N2O2S+ and a molecular weight of 291.27 g/mol. Its IUPAC name is methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate
PubChem CID3341332
Molecular FormulaC11H10F3N2O2S+
Molecular Weight291.27 g/mol
Exact Mass291.04
IUPAC Namemethyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate
SMILESCOC(=O)c1sc2[nH+]c(C)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C11H9F3N2O2S/c1-4-3-5(11(12,13)14)6-7(15)8(10(17)18-2)19-9(6)16-4/h3H,15H2,1-2H3/p+1
InChIKeyONQKNXVMVAMILB-UHFFFAOYSA-O
XLogP2.41
TPSA66.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
butan-2-yl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4624136
ethyl 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4744821
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499
methyl 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate
CID 4746466
benzyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 151760481
3-amino-N-(4-chlorophenyl)-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 4536570
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
N-(4-acetylphenyl)-3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 3514934
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
ethyl 3-amino-4,6-diphenylthieno[2,3-b]pyridin-7-ium-2-carboxylate
CID 4753619

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate?
The IUPAC name of methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate (CID 3341332) is methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate is COC(=O)c1sc2[nH+]c(C)cc(C(F)(F)F)c2c1N.
What is the InChIKey of methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate?
The InChIKey is ONQKNXVMVAMILB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9F3N2O2S/c1-4-3-5(11(12,13)14)6-7(15)8(10(17)18-2)19-9(6)16-4/h3H,15H2,1-2H3/p+1.
What are the key properties of methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate?
methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate has a molecular weight of 291.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-7-ium-2-carboxylate is sourced from PubChem (CID 3341332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).