5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid

C7H8N2O2 — CID 19612496

IUPAC5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid
SMILESN#CC1=CC(C(=O)O)CNC1
InChIInChI=1S/C7H8N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,6,9H,3-4H2,(H,10,11)
InChIKeyCBPOQUWIWHKOLK-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.26
Rot. Bonds1

About 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid

5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid (PubChem CID 19612496) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid
PubChem CID19612496
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid
SMILESN#CC1=CC(C(=O)O)CNC1
InChIInChI=1S/C7H8N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,6,9H,3-4H2,(H,10,11)
InChIKeyCBPOQUWIWHKOLK-UHFFFAOYSA-N
XLogP-0.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid (CID 19612496) is 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid is N#CC1=CC(C(=O)O)CNC1.
What is the InChIKey of 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
The InChIKey is CBPOQUWIWHKOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,6,9H,3-4H2,(H,10,11).
What are the key properties of 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid?
5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1,2,3,6-tetrahydropyridine-3-carboxylic acid is sourced from PubChem (CID 19612496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).