2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid

C8H8F2N2O3 — CID 107555002

IUPAC2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OCC(F)F)n1
InChIInChI=1S/C8H8F2N2O3/c1-4-2-5(7(13)14)12-8(11-4)15-3-6(9)10/h2,6H,3H2,1H3,(H,13,14)
InChIKeyVHXIIODVJBQXQP-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.13
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid

2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107555002) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107555002
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(OCC(F)F)n1
InChIInChI=1S/C8H8F2N2O3/c1-4-2-5(7(13)14)12-8(11-4)15-3-6(9)10/h2,6H,3H2,1H3,(H,13,14)
InChIKeyVHXIIODVJBQXQP-UHFFFAOYSA-N
XLogP1.13
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic 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

6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
6-methyl-2-prop-2-ynoxypyrimidine-4-carboxylic acid
CID 107554632
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
CID 107554981
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
5-(2,2-difluoroethoxy)-1-methylpyrazole-3-carboxylic acid
CID 130229500

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid (CID 107555002) is 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(OCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is VHXIIODVJBQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-4-2-5(7(13)14)12-8(11-4)15-3-6(9)10/h2,6H,3H2,1H3,(H,13,14).
What are the key properties of 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid?
2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 218.16 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).