2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid

C13H11FN2O2S — CID 105381719

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCc3sccc3C2)c1F
InChIInChI=1S/C13H11FN2O2S/c14-11-9(13(17)18)1-4-15-12(11)16-5-2-10-8(7-16)3-6-19-10/h1,3-4,6H,2,5,7H2,(H,17,18)
InChIKeyIQVPGSSUCNANIJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.54
Rot. Bonds2

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381719) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381719
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCc3sccc3C2)c1F
InChIInChI=1S/C13H11FN2O2S/c14-11-9(13(17)18)1-4-15-12(11)16-5-2-10-8(7-16)3-6-19-10/h1,3-4,6H,2,5,7H2,(H,17,18)
InChIKeyIQVPGSSUCNANIJ-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid (CID 105381719) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCc3sccc3C2)c1F.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is IQVPGSSUCNANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-11-9(13(17)18)1-4-15-12(11)16-5-2-10-8(7-16)3-6-19-10/h1,3-4,6H,2,5,7H2,(H,17,18).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).