3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid

C15H12N2O3 — CID 58674563

IUPAC3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
SMILESN#Cc1cc(Oc2ccc(CCC(=O)O)cc2)ccn1
InChIInChI=1S/C15H12N2O3/c16-10-12-9-14(7-8-17-12)20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,7-9H,3,6H2,(H,18,19)
InChIKeySNTVVEPZFOCQGM-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.76
Rot. Bonds5

About 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid

3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid (PubChem CID 58674563) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
PubChem CID58674563
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
SMILESN#Cc1cc(Oc2ccc(CCC(=O)O)cc2)ccn1
InChIInChI=1S/C15H12N2O3/c16-10-12-9-14(7-8-17-12)20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,7-9H,3,6H2,(H,18,19)
InChIKeySNTVVEPZFOCQGM-UHFFFAOYSA-N
XLogP2.76
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
CID 166227041
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
3-[4-(4-nitrophenoxy)phenyl]propanoic acid
CID 91871996
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
N-[3-bromo-5-(trifluoromethyl)phenyl]-3-[3-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide
CID 58674568
4-(2-phenoxyethoxy)pyridine-2-carbonitrile
CID 62937276
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid (CID 58674563) is 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid is N#Cc1cc(Oc2ccc(CCC(=O)O)cc2)ccn1.
What is the InChIKey of 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid?
The InChIKey is SNTVVEPZFOCQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-10-12-9-14(7-8-17-12)20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,7-9H,3,6H2,(H,18,19).
What are the key properties of 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid?
3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 58674563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).