1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

C13H12ClNO4 — CID 70609871

IUPAC1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H12ClNO4/c14-10-1-3-11(4-2-10)19-13(18)15-7-5-9(6-8-15)12(16)17/h1-5H,6-8H2,(H,16,17)
InChIKeySMNWDTHJSPTXJT-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 70609871) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID70609871
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H12ClNO4/c14-10-1-3-11(4-2-10)19-13(18)15-7-5-9(6-8-15)12(16)17/h1-5H,6-8H2,(H,16,17)
InChIKeySMNWDTHJSPTXJT-UHFFFAOYSA-N
XLogP2.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 70609871) is 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(C(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is SMNWDTHJSPTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c14-10-1-3-11(4-2-10)19-13(18)15-7-5-9(6-8-15)12(16)17/h1-5H,6-8H2,(H,16,17).
What are the key properties of 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 281.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)carbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 70609871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).