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

C14H10N2O3 — CID 80741750

IUPAC2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
SMILESN#Cc1ccnc(Oc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H10N2O3/c15-9-10-5-6-16-13(7-10)19-12-4-2-1-3-11(12)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyFPIXAVASMHQVIG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.37
Rot. Bonds4

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

2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 80741750) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
PubChem CID80741750
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
SMILESN#Cc1ccnc(Oc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H10N2O3/c15-9-10-5-6-16-13(7-10)19-12-4-2-1-3-11(12)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyFPIXAVASMHQVIG-UHFFFAOYSA-N
XLogP2.37
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic 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

2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
CID 61395565
2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
CID 80742082
2-[2-[(4-cyano-2-pyridinyl)sulfanylmethyl]phenyl]acetic acid
CID 107778903
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 141181590
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
2-[2-[(2-chloro-4-cyanophenyl)methoxy]phenyl]acetic acid
CID 102663373
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid (CID 80741750) is 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid is N#Cc1ccnc(Oc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is FPIXAVASMHQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-9-10-5-6-16-13(7-10)19-12-4-2-1-3-11(12)8-14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid?
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 80741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).