2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid

C17H10F3N3O2 — CID 138634185

IUPAC2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)12-5-3-10(4-6-12)13-8-14(16(24)25)23-15(22-13)11-2-1-7-21-9-11/h1-9H,(H,24,25)
InChIKeyMPUHOUGYJICHGY-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.92
Rot. Bonds3

About 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid

2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid (PubChem CID 138634185) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid
PubChem CID138634185
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)12-5-3-10(4-6-12)13-8-14(16(24)25)23-15(22-13)11-2-1-7-21-9-11/h1-9H,(H,24,25)
InChIKeyMPUHOUGYJICHGY-UHFFFAOYSA-N
XLogP3.92
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid (CID 138634185) is 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid?
The InChIKey is MPUHOUGYJICHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)12-5-3-10(4-6-12)13-8-14(16(24)25)23-15(22-13)11-2-1-7-21-9-11/h1-9H,(H,24,25).
What are the key properties of 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid?
2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid has a molecular weight of 345.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 138634185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).