2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid

C7H6F2N2O3 — CID 107555001

IUPAC2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCC(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-14-7-10-2-1-4(11-7)6(12)13/h1-2,5H,3H2,(H,12,13)
InChIKeyFMYHNURYUBNXAV-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.82
Rot. Bonds4

About 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid

2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid (PubChem CID 107555001) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
PubChem CID107555001
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(OCC(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-14-7-10-2-1-4(11-7)6(12)13/h1-2,5H,3H2,(H,12,13)
InChIKeyFMYHNURYUBNXAV-UHFFFAOYSA-N
XLogP0.82
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555002
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
2-but-3-ynoxypyrimidine-4-carboxylic acid
CID 107555077
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
CID 107555073
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid (CID 107555001) is 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(OCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is FMYHNURYUBNXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-5(9)3-14-7-10-2-1-4(11-7)6(12)13/h1-2,5H,3H2,(H,12,13).
What are the key properties of 2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid?
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 204.13 g/mol, XLogP of 0.82, 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)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).