3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid

C16H10F3NO2S — CID 139916056

IUPAC3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyKKODDXIQTJXVKI-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.99
Rot. Bonds2

About 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid

3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 139916056) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID139916056
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC Name3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyKKODDXIQTJXVKI-UHFFFAOYSA-N
XLogP4.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 139916046
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 23137152
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
CID 141349982
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
CID 68761400
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
5-methyl-4-oxo-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 8602178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid (CID 139916056) is 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid is Cc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is KKODDXIQTJXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22).
What are the key properties of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 337.32 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 139916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).