4-pyrimidin-2-yloxybenzoic acid

C11H8N2O3 — CID 2763568

IUPAC4-pyrimidin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-2-4-9(5-3-8)16-11-12-6-1-7-13-11/h1-7H,(H,14,15)
InChIKeyUCMUIXMNKTUUEV-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.97
Rot. Bonds3

About 4-pyrimidin-2-yloxybenzoic acid

4-pyrimidin-2-yloxybenzoic acid (PubChem CID 2763568) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-pyrimidin-2-yloxybenzoic acid
PubChem CID2763568
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-pyrimidin-2-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C11H8N2O3/c14-10(15)8-2-4-9(5-3-8)16-11-12-6-1-7-13-11/h1-7H,(H,14,15)
InChIKeyUCMUIXMNKTUUEV-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
4-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763562
2-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)oxy)pyrimidine-5-carboxylic acid
CID 52918288
(E)-3-(dimethylamino)-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 1484634
(E)-3-(dimethylamino)-1-[3-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 1487580
1-[3-Methoxy-4-(pyrimidin-2-yloxy)phenyl]ethan-1-one
CID 2608255
3-[4-(2-Pyrimidinyloxy)phenyl]acrylic acid
CID 5706800
2-Oxo-2-[(pyrimidin-2-yl)amino]ethyl 4-(trifluoromethoxy)benzoate
CID 9441888
Phenyl-(4-pyrimidin-2-yloxyphenyl)methanone
CID 2539963
Ethyl 4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzenecarboxylate
CID 3494146
3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one
CID 393733

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxybenzoic acid?
The IUPAC name of 4-pyrimidin-2-yloxybenzoic acid (CID 2763568) is 4-pyrimidin-2-yloxybenzoic acid.
What is the SMILES notation for 4-pyrimidin-2-yloxybenzoic acid?
The canonical SMILES for 4-pyrimidin-2-yloxybenzoic acid is O=C(O)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 4-pyrimidin-2-yloxybenzoic acid?
The InChIKey is UCMUIXMNKTUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10(15)8-2-4-9(5-3-8)16-11-12-6-1-7-13-11/h1-7H,(H,14,15).
What are the key properties of 4-pyrimidin-2-yloxybenzoic acid?
4-pyrimidin-2-yloxybenzoic acid has a molecular weight of 216.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxybenzoic acid is sourced from PubChem (CID 2763568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).