6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide

C19H13F3N2O — CID 11198644

IUPAC6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C19H13F3N2O/c20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25/h1-11H,(H2,23,25)
InChIKeyXLWUKTVZGWXADR-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.53
Rot. Bonds3

About 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide

6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide (PubChem CID 11198644) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide
PubChem CID11198644
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/C19H13F3N2O/c20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25/h1-11H,(H2,23,25)
InChIKeyXLWUKTVZGWXADR-UHFFFAOYSA-N
XLogP4.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide (CID 11198644) is 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide?
The InChIKey is XLWUKTVZGWXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25/h1-11H,(H2,23,25).
What are the key properties of 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide?
6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 11198644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).