2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid

C11H6Cl2N2O3 — CID 106502849

IUPAC2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Oc2ncncc2Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-8-2-1-6(3-7(8)11(16)17)18-10-9(13)4-14-5-15-10/h1-5H,(H,16,17)
InChIKeyRWXBVXSFTZSBOF-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid

2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid (PubChem CID 106502849) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
PubChem CID106502849
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Oc2ncncc2Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-8-2-1-6(3-7(8)11(16)17)18-10-9(13)4-14-5-15-10/h1-5H,(H,16,17)
InChIKeyRWXBVXSFTZSBOF-UHFFFAOYSA-N
XLogP3.27
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
4-(4-chloro-3-fluorophenoxy)pyrimidine-5-carboxylic acid
CID 114213929
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
CID 114045793
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
2-(5-chloropyrimidin-4-yl)oxyacetic acid
CID 105370323
2-chloro-5-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973535
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
CID 106502871
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 106502824
2-chloro-5-(5-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid (CID 106502849) is 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid is O=C(O)c1cc(Oc2ncncc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid?
The InChIKey is RWXBVXSFTZSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-8-2-1-6(3-7(8)11(16)17)18-10-9(13)4-14-5-15-10/h1-5H,(H,16,17).
What are the key properties of 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid?
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid has a molecular weight of 285.09 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 106502849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).