4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid

C10H6F2N2O3 — CID 62891269

IUPAC4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)nc1C(F)F
InChIInChI=1S/C10H6F2N2O3/c11-8(12)7-5(10(15)16)4-13-9(14-7)6-2-1-3-17-6/h1-4,8H,(H,15,16)
InChIKeyOVCFDYRLNMBRJI-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.37
Rot. Bonds3

About 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 62891269) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid
PubChem CID62891269
Molecular FormulaC10H6F2N2O3
Molecular Weight240.17 g/mol
Exact Mass240.03
IUPAC Name4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)nc1C(F)F
InChIInChI=1S/C10H6F2N2O3/c11-8(12)7-5(10(15)16)4-13-9(14-7)6-2-1-3-17-6/h1-4,8H,(H,15,16)
InChIKeyOVCFDYRLNMBRJI-UHFFFAOYSA-N
XLogP2.37
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid (CID 62891269) is 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccco2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is OVCFDYRLNMBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-8(12)7-5(10(15)16)4-13-9(14-7)6-2-1-3-17-6/h1-4,8H,(H,15,16).
What are the key properties of 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 240.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(furan-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62891269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).