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

C19H10F4N2O3 — CID 69401449

IUPAC5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H10F4N2O3/c20-12-3-4-14(19(21,22)23)13(7-12)17(26)15-5-1-10(8-24-15)11-2-6-16(18(27)28)25-9-11/h1-9H,(H,27,28)
InChIKeyYGGNJZKSEOVTAX-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.23
Rot. Bonds4

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

5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 69401449) has the molecular formula C19H10F4N2O3 and a molecular weight of 390.29 g/mol. Its IUPAC name is 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID69401449
Molecular FormulaC19H10F4N2O3
Molecular Weight390.29 g/mol
Exact Mass390.06
IUPAC Name5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H10F4N2O3/c20-12-3-4-14(19(21,22)23)13(7-12)17(26)15-5-1-10(8-24-15)11-2-6-16(18(27)28)25-9-11/h1-9H,(H,27,28)
InChIKeyYGGNJZKSEOVTAX-UHFFFAOYSA-N
XLogP4.23
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid (CID 69401449) is 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)nc2)cn1.
What is the InChIKey of 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is YGGNJZKSEOVTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O3/c20-12-3-4-14(19(21,22)23)13(7-12)17(26)15-5-1-10(8-24-15)11-2-6-16(18(27)28)25-9-11/h1-9H,(H,27,28).
What are the key properties of 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid?
5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 390.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-fluoro-2-(trifluoromethyl)benzoyl]-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69401449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).