methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate

C10H6F3NO2S — CID 177312492

IUPACmethyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2scc(C(F)(F)F)c2cn1
InChIInChI=1S/C10H6F3NO2S/c1-16-9(15)7-2-8-5(3-14-7)6(4-17-8)10(11,12)13/h2-4H,1H3
InChIKeyPHVDVZYQAYLIHP-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.10
Rot. Bonds1

About methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate

methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate (PubChem CID 177312492) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate
PubChem CID177312492
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Namemethyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2scc(C(F)(F)F)c2cn1
InChIInChI=1S/C10H6F3NO2S/c1-16-9(15)7-2-8-5(3-14-7)6(4-17-8)10(11,12)13/h2-4H,1H3
InChIKeyPHVDVZYQAYLIHP-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-nitro-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097202
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 135392315
methyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422554
dimethyl 1-phenyl-3-[3-(trifluoromethyl)-1-benzothiophen-5-yl]pyrazole-4,5-dicarboxylate
CID 169389750
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
CID 154725458
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
methyl 3-bromo-4-(methoxymethoxy)-5-(trifluoromethyl)benzoate
CID 58629737

Frequently Asked Questions

What is the IUPAC name of methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate (CID 177312492) is methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate is COC(=O)c1cc2scc(C(F)(F)F)c2cn1.
What is the InChIKey of methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is PHVDVZYQAYLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c1-16-9(15)7-2-8-5(3-14-7)6(4-17-8)10(11,12)13/h2-4H,1H3.
What are the key properties of methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate?
methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 261.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(trifluoromethyl)thieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 177312492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).