5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid

C19H11F3N2O3 — CID 69400351

IUPAC5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H11F3N2O3/c20-19(21,22)14-4-2-1-3-13(14)17(25)15-7-5-11(9-23-15)12-6-8-16(18(26)27)24-10-12/h1-10H,(H,26,27)
InChIKeyRZBOCWUVMVKYBC-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.09
Rot. Bonds4

About 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid

5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 69400351) has the molecular formula C19H11F3N2O3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID69400351
Molecular FormulaC19H11F3N2O3
Molecular Weight372.30 g/mol
Exact Mass372.07
IUPAC Name5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H11F3N2O3/c20-19(21,22)14-4-2-1-3-13(14)17(25)15-7-5-11(9-23-15)12-6-8-16(18(26)27)24-10-12/h1-10H,(H,26,27)
InChIKeyRZBOCWUVMVKYBC-UHFFFAOYSA-N
XLogP4.09
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid (CID 69400351) is 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)c3ccccc3C(F)(F)F)nc2)cn1.
What is the InChIKey of 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is RZBOCWUVMVKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O3/c20-19(21,22)14-4-2-1-3-13(14)17(25)15-7-5-11(9-23-15)12-6-8-16(18(26)27)24-10-12/h1-10H,(H,26,27).
What are the key properties of 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 372.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).