5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid

C15H12N2O3S — CID 167988966

IUPAC5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid
SMILESN#Cc1cc(-c2cnc(OCC3CC3)c(C(=O)O)c2)cs1
InChIInChI=1S/C15H12N2O3S/c16-5-12-3-11(8-21-12)10-4-13(15(18)19)14(17-6-10)20-7-9-1-2-9/h3-4,6,8-9H,1-2,7H2,(H,18,19)
InChIKeyGIANZVQNWOWLOF-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.17
Rot. Bonds5

About 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid

5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid (PubChem CID 167988966) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid
PubChem CID167988966
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid
SMILESN#Cc1cc(-c2cnc(OCC3CC3)c(C(=O)O)c2)cs1
InChIInChI=1S/C15H12N2O3S/c16-5-12-3-11(8-21-12)10-4-13(15(18)19)14(17-6-10)20-7-9-1-2-9/h3-4,6,8-9H,1-2,7H2,(H,18,19)
InChIKeyGIANZVQNWOWLOF-UHFFFAOYSA-N
XLogP3.17
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid (CID 167988966) is 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid is N#Cc1cc(-c2cnc(OCC3CC3)c(C(=O)O)c2)cs1.
What is the InChIKey of 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is GIANZVQNWOWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-5-12-3-11(8-21-12)10-4-13(15(18)19)14(17-6-10)20-7-9-1-2-9/h3-4,6,8-9H,1-2,7H2,(H,18,19).
What are the key properties of 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid?
5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyanothiophen-3-yl)-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 167988966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).