3-chloro-5-pyrimidin-5-yloxybenzoic acid

C11H7ClN2O3 — CID 67051407

IUPAC3-chloro-5-pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C11H7ClN2O3/c12-8-1-7(11(15)16)2-9(3-8)17-10-4-13-6-14-5-10/h1-6H,(H,15,16)
InChIKeyMKAGGGQQSIMPAA-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.62
Rot. Bonds3

About 3-chloro-5-pyrimidin-5-yloxybenzoic acid

3-chloro-5-pyrimidin-5-yloxybenzoic acid (PubChem CID 67051407) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 3-chloro-5-pyrimidin-5-yloxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-pyrimidin-5-yloxybenzoic acid
PubChem CID67051407
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name3-chloro-5-pyrimidin-5-yloxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C11H7ClN2O3/c12-8-1-7(11(15)16)2-9(3-8)17-10-4-13-6-14-5-10/h1-6H,(H,15,16)
InChIKeyMKAGGGQQSIMPAA-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

Analyze 3-chloro-5-pyrimidin-5-yloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318789
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
CID 58318884
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
5-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 58349126
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
2-[(5-chloro-3-pyridinyl)oxy]-6-methylpyridine-4-carboxylic acid
CID 113378263
3-(difluoromethoxy)-5-pyrimidin-5-ylbenzoic acid
CID 171382835
(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 131142428
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
N-[3-[(3-chlorobenzoyl)amino]-5-pyrimidin-5-yloxyphenyl]-3-[(3-chloro-5-pyrimidin-5-yloxyphenyl)carbamoyl]benzonitrilium
CID 123530690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyrimidin-5-yloxybenzoic acid?
The IUPAC name of 3-chloro-5-pyrimidin-5-yloxybenzoic acid (CID 67051407) is 3-chloro-5-pyrimidin-5-yloxybenzoic acid.
What is the SMILES notation for 3-chloro-5-pyrimidin-5-yloxybenzoic acid?
The canonical SMILES for 3-chloro-5-pyrimidin-5-yloxybenzoic acid is O=C(O)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 3-chloro-5-pyrimidin-5-yloxybenzoic acid?
The InChIKey is MKAGGGQQSIMPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-8-1-7(11(15)16)2-9(3-8)17-10-4-13-6-14-5-10/h1-6H,(H,15,16).
What are the key properties of 3-chloro-5-pyrimidin-5-yloxybenzoic acid?
3-chloro-5-pyrimidin-5-yloxybenzoic 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-chloro-5-pyrimidin-5-yloxybenzoic acid is sourced from PubChem (CID 67051407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).