5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid

C7H8N2O2 — CID 89464649

IUPAC5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESN#CC1=CCCN(C(=O)O)C1
InChIInChI=1S/C7H8N2O2/c8-4-6-2-1-3-9(5-6)7(10)11/h2H,1,3,5H2,(H,10,11)
InChIKeyQMITVXYYEYJNDD-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.82
Rot. Bonds

About 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 89464649) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID89464649
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESN#CC1=CCCN(C(=O)O)C1
InChIInChI=1S/C7H8N2O2/c8-4-6-2-1-3-9(5-6)7(10)11/h2H,1,3,5H2,(H,10,11)
InChIKeyQMITVXYYEYJNDD-UHFFFAOYSA-N
XLogP0.82
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 89464649) is 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid is N#CC1=CCCN(C(=O)O)C1.
What is the InChIKey of 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is QMITVXYYEYJNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-4-6-2-1-3-9(5-6)7(10)11/h2H,1,3,5H2,(H,10,11).
What are the key properties of 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 89464649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).