6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C19H14F3N3O2 — CID 67426063

IUPAC6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(CCc2cncnc2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)15-4-2-13(3-5-15)16-7-14(18(26)27)10-25-17(16)6-1-12-8-23-11-24-9-12/h2-5,7-11H,1,6H2,(H,26,27)
InChIKeyCJIYQTIGZWTFDE-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.04
Rot. Bonds5

About 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 67426063) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID67426063
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(CCc2cncnc2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)15-4-2-13(3-5-15)16-7-14(18(26)27)10-25-17(16)6-1-12-8-23-11-24-9-12/h2-5,7-11H,1,6H2,(H,26,27)
InChIKeyCJIYQTIGZWTFDE-UHFFFAOYSA-N
XLogP4.04
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 67426063) is 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cnc(CCc2cncnc2)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is CJIYQTIGZWTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)15-4-2-13(3-5-15)16-7-14(18(26)27)10-25-17(16)6-1-12-8-23-11-24-9-12/h2-5,7-11H,1,6H2,(H,26,27).
What are the key properties of 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 373.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrimidin-5-ylethyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).