6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid

C11H10N2O2 — CID 171935334

IUPAC6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
SMILESN#CC1(c2ccc(C(=O)O)cn2)CCC1
InChIInChI=1S/C11H10N2O2/c12-7-11(4-1-5-11)9-3-2-8(6-13-9)10(14)15/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyDUTMQQXMOPEFJQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.73
Rot. Bonds2

About 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid

6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid (PubChem CID 171935334) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
PubChem CID171935334
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
SMILESN#CC1(c2ccc(C(=O)O)cn2)CCC1
InChIInChI=1S/C11H10N2O2/c12-7-11(4-1-5-11)9-3-2-8(6-13-9)10(14)15/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyDUTMQQXMOPEFJQ-UHFFFAOYSA-N
XLogP1.73
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid (CID 171935334) is 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid is N#CC1(c2ccc(C(=O)O)cn2)CCC1.
What is the InChIKey of 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid?
The InChIKey is DUTMQQXMOPEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-7-11(4-1-5-11)9-3-2-8(6-13-9)10(14)15/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid?
6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171935334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).