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

C13H15NO3 — CID 105492659

IUPAC6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=CC1c1ccc(O)cc1
InChIInChI=1S/C13H15NO3/c1-14-7-6-10(13(16)17)8-12(14)9-2-4-11(15)5-3-9/h2-5,8,12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKTKJWXCVBXFLNW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds2

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

6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 105492659) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID105492659
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCN1CCC(C(=O)O)=CC1c1ccc(O)cc1
InChIInChI=1S/C13H15NO3/c1-14-7-6-10(13(16)17)8-12(14)9-2-4-11(15)5-3-9/h2-5,8,12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKTKJWXCVBXFLNW-UHFFFAOYSA-N
XLogP1.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105496000
1-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105450847
2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
CID 105457351
4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
CID 143139742
4-(1-methylazetidin-3-yl)phenol
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4-(4-hydroxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 115040648
bis(benzene-1,4-diol);carbonic acid
CID 68999082
(3R,4S,5R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexene-1-carboxylic acid
CID 71447328
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
10-[2-(4-hydroxyphenyl)ethylamino]-2,7-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,9-trien-11-one
CID 21146784
(2R,3S)-1-acetyl-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 10610620
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CID 163536929

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 105492659) is 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is CN1CCC(C(=O)O)=CC1c1ccc(O)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is KTKJWXCVBXFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-7-6-10(13(16)17)8-12(14)9-2-4-11(15)5-3-9/h2-5,8,12,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 105492659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).