2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid

C11H12N2O2 — CID 83832434

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CC3CC3C2)c1
InChIInChI=1S/C11H12N2O2/c14-11(15)7-1-2-12-10(4-7)13-5-8-3-9(8)6-13/h1-2,4,8-9H,3,5-6H2,(H,14,15)
InChIKeyMSQCSUFQWFJTBX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.24
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid

2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid (PubChem CID 83832434) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
PubChem CID83832434
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CC3CC3C2)c1
InChIInChI=1S/C11H12N2O2/c14-11(15)7-1-2-12-10(4-7)13-5-8-3-9(8)6-13/h1-2,4,8-9H,3,5-6H2,(H,14,15)
InChIKeyMSQCSUFQWFJTBX-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-azabicyclo[3.1.0]hexan-3-yl)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

2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
CID 56874712
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-(3-chloro-4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 91579953
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-4-amine
CID 130140544
(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422250
2-[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-4-carboxamide;formic acid
CID 172909936
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pyridine-4-carboxylic acid
CID 81115228
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine
CID 142422469
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-4-carboxamide
CID 138380561

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid (CID 83832434) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CC3CC3C2)c1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid?
The InChIKey is MSQCSUFQWFJTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(15)7-1-2-12-10(4-7)13-5-8-3-9(8)6-13/h1-2,4,8-9H,3,5-6H2,(H,14,15).
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid?
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 83832434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).