2-[(4-cyano-2-pyridinyl)oxy]benzoic acid

C13H8N2O3 — CID 61395565

IUPAC2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
SMILESN#Cc1ccnc(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C13H8N2O3/c14-8-9-5-6-15-12(7-9)18-11-4-2-1-3-10(11)13(16)17/h1-7H,(H,16,17)
InChIKeyCDILDWUQKNTPKH-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.44
Rot. Bonds3

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

2-[(4-cyano-2-pyridinyl)oxy]benzoic acid (PubChem CID 61395565) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
PubChem CID61395565
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
SMILESN#Cc1ccnc(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C13H8N2O3/c14-8-9-5-6-15-12(7-9)18-11-4-2-1-3-10(11)13(16)17/h1-7H,(H,16,17)
InChIKeyCDILDWUQKNTPKH-UHFFFAOYSA-N
XLogP2.44
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750
2-[2-[(4-cyano-2-pyridinyl)sulfanyl]ethoxy]benzoic acid
CID 107778880
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
2-[(2-chloro-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 141181590
2-pyrazin-2-yloxybenzoic acid
CID 61395597
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
(E)-2-[2-[[2-(2-cyanophenoxy)-4-pyridinyl]oxy]phenyl]but-2-enoic acid
CID 68535372
2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
2-(2,4-dimethylphenoxy)pyridine-4-carbonitrile
CID 24690877

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid (CID 61395565) is 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid is N#Cc1ccnc(Oc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid?
The InChIKey is CDILDWUQKNTPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c14-8-9-5-6-15-12(7-9)18-11-4-2-1-3-10(11)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid?
2-[(4-cyano-2-pyridinyl)oxy]benzoic acid has a molecular weight of 240.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 61395565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).