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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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).