2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid

C11H10N2O2 — CID 164905587

IUPAC2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid
SMILESN#CC1(c2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C11H10N2O2/c12-7-11(3-1-4-11)9-6-8(10(14)15)2-5-13-9/h2,5-6H,1,3-4H2,(H,14,15)
InChIKeyQQNJPKRCBOMHMR-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.73
Rot. Bonds2

About 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid

2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid (PubChem CID 164905587) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid
PubChem CID164905587
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid
SMILESN#CC1(c2cc(C(=O)O)ccn2)CCC1
InChIInChI=1S/C11H10N2O2/c12-7-11(3-1-4-11)9-6-8(10(14)15)2-5-13-9/h2,5-6H,1,3-4H2,(H,14,15)
InChIKeyQQNJPKRCBOMHMR-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

Analyze 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-cyanocyclobutyl)pyridine-3-carboxylic acid
CID 171935334
2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
CID 166162271
[5-[2-(1-cyanocyclobutyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]carbamic acid
CID 141242989
1-(4-bromo-2-pyridinyl)-3-oxocyclobutane-1-carbonitrile
CID 135564382
2-(2,2,6,6-tetramethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 165450622
2-[[1-(cyanomethyl)cyclopropyl]methylsulfanyl]pyridine-4-carboxylic acid
CID 65480703
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile
CID 130233903
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(3-cyanoprop-1-ynyl)pyridine-4-carboxylic acid
CID 170474880
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid (CID 164905587) is 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid is N#CC1(c2cc(C(=O)O)ccn2)CCC1.
What is the InChIKey of 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid?
The InChIKey is QQNJPKRCBOMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-7-11(3-1-4-11)9-6-8(10(14)15)2-5-13-9/h2,5-6H,1,3-4H2,(H,14,15).
What are the key properties of 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid?
2-(1-cyanocyclobutyl)pyridine-4-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 2-(1-cyanocyclobutyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 164905587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).