6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid

C13H10Cl2N2O3 — CID 71282795

IUPAC6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O3/c1-20-5-8-11(16-6-17-12(8)13(18)19)7-2-3-9(14)10(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyRQYQZLZKGMCHPT-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.30
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid

6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid (PubChem CID 71282795) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid
PubChem CID71282795
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O3/c1-20-5-8-11(16-6-17-12(8)13(18)19)7-2-3-9(14)10(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyRQYQZLZKGMCHPT-UHFFFAOYSA-N
XLogP3.30
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid (CID 71282795) is 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid is COCc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid?
The InChIKey is RQYQZLZKGMCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-20-5-8-11(16-6-17-12(8)13(18)19)7-2-3-9(14)10(15)4-7/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid?
6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid has a molecular weight of 313.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 71282795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).