2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid

C13H11ClN2O3 — CID 83181646

IUPAC2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H11ClN2O3/c1-7-3-4-9(14)5-11(7)19-13-15-6-10(12(17)18)8(2)16-13/h3-6H,1-2H3,(H,17,18)
InChIKeyDXJMFVCFOUDBMY-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.24
Rot. Bonds3

About 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid

2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181646) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181646
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H11ClN2O3/c1-7-3-4-9(14)5-11(7)19-13-15-6-10(12(17)18)8(2)16-13/h3-6H,1-2H3,(H,17,18)
InChIKeyDXJMFVCFOUDBMY-UHFFFAOYSA-N
XLogP3.24
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181128
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 107656699
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
4-(5-chloro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053396
4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
CID 83180987
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53337921
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
4-methyl-2-(2-methyl-6-nitrophenoxy)pyrimidine-5-carboxylic acid
CID 83180726
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid (CID 83181646) is 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid is Cc1ccc(Cl)cc1Oc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is DXJMFVCFOUDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-3-4-9(14)5-11(7)19-13-15-6-10(12(17)18)8(2)16-13/h3-6H,1-2H3,(H,17,18).
What are the key properties of 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid?
2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).