4-pyridin-3-yloxybenzoic acid

C12H9NO3 — CID 22261667

IUPAC4-pyridin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-3-5-10(6-4-9)16-11-2-1-7-13-8-11/h1-8H,(H,14,15)
InChIKeyJZHQITAPTQQMIF-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.57
Rot. Bonds3

About 4-pyridin-3-yloxybenzoic acid

4-pyridin-3-yloxybenzoic acid (PubChem CID 22261667) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-pyridin-3-yloxybenzoic acid.

Molecular Properties

Compound Name4-pyridin-3-yloxybenzoic acid
PubChem CID22261667
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-pyridin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-3-5-10(6-4-9)16-11-2-1-7-13-8-11/h1-8H,(H,14,15)
InChIKeyJZHQITAPTQQMIF-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-(4-fluorophenoxy)benzoic acid;pyridine
CID 139933963
4-methoxybenzoic acid;pyridine
CID 174860408
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxybenzoic acid?
The IUPAC name of 4-pyridin-3-yloxybenzoic acid (CID 22261667) is 4-pyridin-3-yloxybenzoic acid.
What is the SMILES notation for 4-pyridin-3-yloxybenzoic acid?
The canonical SMILES for 4-pyridin-3-yloxybenzoic acid is O=C(O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-yloxybenzoic acid?
The InChIKey is JZHQITAPTQQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12(15)9-3-5-10(6-4-9)16-11-2-1-7-13-8-11/h1-8H,(H,14,15).
What are the key properties of 4-pyridin-3-yloxybenzoic acid?
4-pyridin-3-yloxybenzoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxybenzoic acid is sourced from PubChem (CID 22261667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).