5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid

C15H11NO3S — CID 63852193

IUPAC5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2csc3ccccc23)c1
InChIInChI=1S/C15H11NO3S/c17-15(18)10-5-12(7-16-6-10)19-8-11-9-20-14-4-2-1-3-13(11)14/h1-7,9H,8H2,(H,17,18)
InChIKeyYINZMXPAJYMKEG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.57
Rot. Bonds4

About 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid

5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid (PubChem CID 63852193) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid
PubChem CID63852193
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2csc3ccccc23)c1
InChIInChI=1S/C15H11NO3S/c17-15(18)10-5-12(7-16-6-10)19-8-11-9-20-14-4-2-1-3-13(11)14/h1-7,9H,8H2,(H,17,18)
InChIKeyYINZMXPAJYMKEG-UHFFFAOYSA-N
XLogP3.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzothiophen-3-ylmethoxy)benzoic acid
CID 63744516
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
3-(phenoxymethyl)-1-benzothiophene-6-carboxylic acid
CID 117178205
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propanoic acid
CID 23082921
5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 63852541
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzoic acid
CID 63744829
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63850652
methyl 3-(pyridin-3-yloxymethyl)-1-benzothiophene-6-carboxylate
CID 54509660
5-[(5-carbamoyl-2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63851699
1-(1-benzothiophen-3-ylmethyl)pyrazole-4-carboxylic acid
CID 63737907
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid (CID 63852193) is 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2csc3ccccc23)c1.
What is the InChIKey of 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is YINZMXPAJYMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-15(18)10-5-12(7-16-6-10)19-8-11-9-20-14-4-2-1-3-13(11)14/h1-7,9H,8H2,(H,17,18).
What are the key properties of 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid?
5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63852193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).