3-(2-chloropyrimidin-4-yl)oxybenzoic acid

C11H7ClN2O3 — CID 28875473

IUPAC3-(2-chloropyrimidin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H7ClN2O3/c12-11-13-5-4-9(14-11)17-8-3-1-2-7(6-8)10(15)16/h1-6H,(H,15,16)
InChIKeyDDJBNNXIOUMIJH-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.62
Rot. Bonds3

About 3-(2-chloropyrimidin-4-yl)oxybenzoic acid

3-(2-chloropyrimidin-4-yl)oxybenzoic acid (PubChem CID 28875473) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)oxybenzoic acid
PubChem CID28875473
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name3-(2-chloropyrimidin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cccc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H7ClN2O3/c12-11-13-5-4-9(14-11)17-8-3-1-2-7(6-8)10(15)16/h1-6H,(H,15,16)
InChIKeyDDJBNNXIOUMIJH-UHFFFAOYSA-N
XLogP2.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
CID 71564649
3-(2-chloropyrimidin-4-yl)sulfanylbenzoic acid
CID 18327463
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-phenoxypyridine-4-carboxylic acid
CID 21494431
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
CID 140976686
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
3-naphthalen-2-yloxybenzoic acid
CID 10587676
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585605

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)oxybenzoic acid (CID 28875473) is 3-(2-chloropyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)oxybenzoic acid is O=C(O)c1cccc(Oc2ccnc(Cl)n2)c1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)oxybenzoic acid?
The InChIKey is DDJBNNXIOUMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-11-13-5-4-9(14-11)17-8-3-1-2-7(6-8)10(15)16/h1-6H,(H,15,16).
What are the key properties of 3-(2-chloropyrimidin-4-yl)oxybenzoic acid?
3-(2-chloropyrimidin-4-yl)oxybenzoic acid has a molecular weight of 250.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 28875473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).