4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid

C15H11NO3S — CID 61396222

IUPAC4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1nccc2sccc12
InChIInChI=1S/C15H11NO3S/c1-9-2-3-10(15(17)18)8-12(9)19-14-11-5-7-20-13(11)4-6-16-14/h2-8H,1H3,(H,17,18)
InChIKeyUFBHABQTKWPWNC-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.10
Rot. Bonds3

About 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid

4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid (PubChem CID 61396222) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
PubChem CID61396222
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1nccc2sccc12
InChIInChI=1S/C15H11NO3S/c1-9-2-3-10(15(17)18)8-12(9)19-14-11-5-7-20-13(11)4-6-16-14/h2-8H,1H3,(H,17,18)
InChIKeyUFBHABQTKWPWNC-UHFFFAOYSA-N
XLogP4.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 106502824
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
thieno[3,2-c]pyridin-4-yl trifluoromethanesulfonate
CID 169135002
3-(7-chloro-6-methoxyquinazolin-4-yl)oxy-4-methylbenzoic acid
CID 169304234
3-(4-chloro-2,6-dimethylphenoxy)-4-methylbenzoic acid
CID 105405731
3-(5-fluoropyrimidin-2-yl)oxy-4-methylbenzoic acid
CID 113432161
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
4-methyl-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]benzoic acid;hydrochloride
CID 86634756
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The IUPAC name of 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid (CID 61396222) is 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid.
What is the SMILES notation for 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The canonical SMILES for 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid is Cc1ccc(C(=O)O)cc1Oc1nccc2sccc12.
What is the InChIKey of 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
The InChIKey is UFBHABQTKWPWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-9-2-3-10(15(17)18)8-12(9)19-14-11-5-7-20-13(11)4-6-16-14/h2-8H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid?
4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-thieno[3,2-c]pyridin-4-yloxybenzoic acid is sourced from PubChem (CID 61396222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).