5-(difluoromethoxy)pyrimidine-2-carboxylic acid

C6H4F2N2O3 — CID 118435519

IUPAC5-(difluoromethoxy)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)13-3-1-9-4(5(11)12)10-2-3/h1-2,6H,(H,11,12)
InChIKeySMTCCDPQBGRJQD-UHFFFAOYSA-N
MW190.11 g/mol
LogP0.78
Rot. Bonds3

About 5-(difluoromethoxy)pyrimidine-2-carboxylic acid

5-(difluoromethoxy)pyrimidine-2-carboxylic acid (PubChem CID 118435519) has the molecular formula C6H4F2N2O3 and a molecular weight of 190.11 g/mol. Its IUPAC name is 5-(difluoromethoxy)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethoxy)pyrimidine-2-carboxylic acid
PubChem CID118435519
Molecular FormulaC6H4F2N2O3
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name5-(difluoromethoxy)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)F)cn1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)13-3-1-9-4(5(11)12)10-2-3/h1-2,6H,(H,11,12)
InChIKeySMTCCDPQBGRJQD-UHFFFAOYSA-N
XLogP0.78
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethoxy)pyrimidine-2-carboxylic acid (CID 118435519) is 5-(difluoromethoxy)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethoxy)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethoxy)pyrimidine-2-carboxylic acid is O=C(O)c1ncc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)pyrimidine-2-carboxylic acid?
The InChIKey is SMTCCDPQBGRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O3/c7-6(8)13-3-1-9-4(5(11)12)10-2-3/h1-2,6H,(H,11,12).
What are the key properties of 5-(difluoromethoxy)pyrimidine-2-carboxylic acid?
5-(difluoromethoxy)pyrimidine-2-carboxylic acid has a molecular weight of 190.11 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 118435519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).