5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid

C13H11ClN2O4 — CID 82168643

IUPAC5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1OCc1ncc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H11ClN2O4/c1-19-9-4-2-3-5-10(9)20-7-11-15-6-8(14)12(16-11)13(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyJHWXOXBZZUTORY-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid

5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid (PubChem CID 82168643) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
PubChem CID82168643
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1OCc1ncc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H11ClN2O4/c1-19-9-4-2-3-5-10(9)20-7-11-15-6-8(14)12(16-11)13(17)18/h2-6H,7H2,1H3,(H,17,18)
InChIKeyJHWXOXBZZUTORY-UHFFFAOYSA-N
XLogP2.42
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168616
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
5-[(2-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 117213246
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid (CID 82168643) is 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid is COc1ccccc1OCc1ncc(Cl)c(C(=O)O)n1.
What is the InChIKey of 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is JHWXOXBZZUTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-19-9-4-2-3-5-10(9)20-7-11-15-6-8(14)12(16-11)13(17)18/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid?
5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 294.69 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).