2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid

C12H8ClFN2O3 — CID 114045793

IUPAC2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ncnc(Oc2ccc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C12H8ClFN2O3/c1-6-10(14)11(16-5-15-6)19-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,17,18)
InChIKeyCVDJTLCDWIZSPQ-UHFFFAOYSA-N
MW282.66 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid

2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 114045793) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
PubChem CID114045793
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ncnc(Oc2ccc(Cl)c(C(=O)O)c2)c1F
InChIInChI=1S/C12H8ClFN2O3/c1-6-10(14)11(16-5-15-6)19-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,17,18)
InChIKeyCVDJTLCDWIZSPQ-UHFFFAOYSA-N
XLogP3.07
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic 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-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid
CID 114045786
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
2-chloro-5-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973535
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
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
4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
CID 106502835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid (CID 114045793) is 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid is Cc1ncnc(Oc2ccc(Cl)c(C(=O)O)c2)c1F.
What is the InChIKey of 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is CVDJTLCDWIZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c1-6-10(14)11(16-5-15-6)19-7-2-3-9(13)8(4-7)12(17)18/h2-5H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid?
2-chloro-5-(5-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 282.66 g/mol, XLogP of 3.07, 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-fluoro-6-methylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 114045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).