4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid

C11H6N2O3S — CID 66436274

IUPAC4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESN#Cc1cccc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C11H6N2O3S/c12-5-7-2-1-3-10(13-7)16-8-4-9(11(14)15)17-6-8/h1-4,6H,(H,14,15)
InChIKeyRGPGEESFAJJKAX-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.51
Rot. Bonds3

About 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid

4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid (PubChem CID 66436274) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
PubChem CID66436274
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESN#Cc1cccc(Oc2csc(C(=O)O)c2)n1
InChIInChI=1S/C11H6N2O3S/c12-5-7-2-1-3-10(13-7)16-8-4-9(11(14)15)17-6-8/h1-4,6H,(H,14,15)
InChIKeyRGPGEESFAJJKAX-UHFFFAOYSA-N
XLogP2.51
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyanophenoxy)thiophene-2-carboxylic acid
CID 66438025
6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 64588607
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
4-(2-cyano-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438462
6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
CID 116649335

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid (CID 66436274) is 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid is N#Cc1cccc(Oc2csc(C(=O)O)c2)n1.
What is the InChIKey of 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The InChIKey is RGPGEESFAJJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c12-5-7-2-1-3-10(13-7)16-8-4-9(11(14)15)17-6-8/h1-4,6H,(H,14,15).
What are the key properties of 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).