6-(2-phenylethyl)pyridine-3-carboxylic acid

C14H13NO2 — CID 150942335

IUPAC6-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCc2ccccc2)nc1
InChIInChI=1S/C14H13NO2/c16-14(17)12-7-9-13(15-10-12)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,17)
InChIKeyLIHVOKOJRUOAPL-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.57
Rot. Bonds4

About 6-(2-phenylethyl)pyridine-3-carboxylic acid

6-(2-phenylethyl)pyridine-3-carboxylic acid (PubChem CID 150942335) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(2-phenylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylethyl)pyridine-3-carboxylic acid
PubChem CID150942335
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name6-(2-phenylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCc2ccccc2)nc1
InChIInChI=1S/C14H13NO2/c16-14(17)12-7-9-13(15-10-12)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,17)
InChIKeyLIHVOKOJRUOAPL-UHFFFAOYSA-N
XLogP2.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
3-[2-(5-methyl-2-pyridinyl)ethyl]benzoic acid
CID 174722222
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628
6-[methyl(5-phenylpentyl)amino]pyridine-3-carboxylic acid
CID 70610869
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 58769005
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551
6-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]pyridine-3-carboxylic acid
CID 113374082

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-phenylethyl)pyridine-3-carboxylic acid (CID 150942335) is 6-(2-phenylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-phenylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-phenylethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CCc2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylethyl)pyridine-3-carboxylic acid?
The InChIKey is LIHVOKOJRUOAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)12-7-9-13(15-10-12)8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,16,17).
What are the key properties of 6-(2-phenylethyl)pyridine-3-carboxylic acid?
6-(2-phenylethyl)pyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 150942335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).