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

C13H12N2O2 — CID 21105437

IUPAC4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESN#Cc1ccccc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C13H12N2O2/c14-9-11-3-1-2-4-12(11)10-5-7-15(8-6-10)13(16)17/h1-5H,6-8H2,(H,16,17)
InChIKeyPHYGYWAKNZRXDX-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.33
Rot. Bonds1

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

4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 21105437) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID21105437
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESN#Cc1ccccc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C13H12N2O2/c14-9-11-3-1-2-4-12(11)10-5-7-15(8-6-10)13(16)17/h1-5H,6-8H2,(H,16,17)
InChIKeyPHYGYWAKNZRXDX-UHFFFAOYSA-N
XLogP2.33
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 21105437) is 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is N#Cc1ccccc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PHYGYWAKNZRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-9-11-3-1-2-4-12(11)10-5-7-15(8-6-10)13(16)17/h1-5H,6-8H2,(H,16,17).
What are the key properties of 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 21105437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).