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

C12H13NO3 — CID 143053715

IUPAC2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CCC1c1cccc(O)c1
InChIInChI=1S/C12H13NO3/c14-10-5-3-4-9(8-10)11-6-1-2-7-13(11)12(15)16/h1-5,8,11,14H,6-7H2,(H,15,16)
InChIKeyCMYBTENJGWIIOT-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.37
Rot. Bonds1

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

2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 143053715) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID143053715
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CCC1c1cccc(O)c1
InChIInChI=1S/C12H13NO3/c14-10-5-3-4-9(8-10)11-6-1-2-7-13(11)12(15)16/h1-5,8,11,14H,6-7H2,(H,15,16)
InChIKeyCMYBTENJGWIIOT-UHFFFAOYSA-N
XLogP2.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 143053715) is 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=CCC1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is CMYBTENJGWIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-10-5-3-4-9(8-10)11-6-1-2-7-13(11)12(15)16/h1-5,8,11,14H,6-7H2,(H,15,16).
What are the key properties of 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 143053715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).