2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid

C14H8FNO2S — CID 115113761

IUPAC2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C14H8FNO2S/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyGPWCBUIXBLWURL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.80
Rot. Bonds2

About 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid

2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113761) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
PubChem CID115113761
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C14H8FNO2S/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18)
InChIKeyGPWCBUIXBLWURL-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113755
5-(7-fluoro-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 115109826
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(4-cyano-5-phenylthiophen-2-yl)pyridine-4-carboxylic acid
CID 45376372
2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055132
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
2-(1-benzofuran-7-yl)pyridine-4-carboxylic acid
CID 139447724

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid (CID 115113761) is 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cccc(F)c3s2)c1.
What is the InChIKey of 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid?
The InChIKey is GPWCBUIXBLWURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-10-3-1-2-8-7-12(19-13(8)10)11-6-9(14(17)18)4-5-16-11/h1-7H,(H,17,18).
What are the key properties of 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid?
2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).