3,4-dihydro-2H-pyridine-1-carboxylic acid

C6H9NO2 — CID 19958096

IUPAC3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9)
InChIKeyKFXQUZAXONXEMJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.27
Rot. Bonds

About 3,4-dihydro-2H-pyridine-1-carboxylic acid

3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 19958096) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID19958096
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=CCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9)
InChIKeyKFXQUZAXONXEMJ-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 19958096) is 3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1C=CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is KFXQUZAXONXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9).
What are the key properties of 3,4-dihydro-2H-pyridine-1-carboxylic acid?
3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 19958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).