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

C10H5F3N2O3 — CID 62698335

IUPAC2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)nc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-5(9(16)17)4-14-8(15-7)6-2-1-3-18-6/h1-4H,(H,16,17)
InChIKeyIWJFFSBUODBZJM-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.45
Rot. Bonds2

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

2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 62698335) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID62698335
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccco2)nc1C(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-5(9(16)17)4-14-8(15-7)6-2-1-3-18-6/h1-4H,(H,16,17)
InChIKeyIWJFFSBUODBZJM-UHFFFAOYSA-N
XLogP2.45
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 62698335) is 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccco2)nc1C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is IWJFFSBUODBZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)7-5(9(16)17)4-14-8(15-7)6-2-1-3-18-6/h1-4H,(H,16,17).
What are the key properties of 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 258.15 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62698335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).