3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid

C13H7Cl2F3N2O4 — CID 67661702

IUPAC3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)cncc1Cl.O=C(O)c1cccnc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2.C6H3Cl2NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5;7-3-1-9-2-4(8)5(3)6(10)11/h1-3H,(H,12,13);1-2H,(H,10,11)
InChIKeyAGUZGLFFOIGABR-UHFFFAOYSA-N
MW383.11 g/mol
LogP3.89
Rot. Bonds2

About 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid

3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 67661702) has the molecular formula C13H7Cl2F3N2O4 and a molecular weight of 383.11 g/mol. Its IUPAC name is 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID67661702
Molecular FormulaC13H7Cl2F3N2O4
Molecular Weight383.11 g/mol
Exact Mass381.97
IUPAC Name3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)cncc1Cl.O=C(O)c1cccnc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2.C6H3Cl2NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5;7-3-1-9-2-4(8)5(3)6(10)11/h1-3H,(H,12,13);1-2H,(H,10,11)
InChIKeyAGUZGLFFOIGABR-UHFFFAOYSA-N
XLogP3.89
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.11
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 67661702) is 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(Cl)cncc1Cl.O=C(O)c1cccnc1C(F)(F)F.
What is the InChIKey of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is AGUZGLFFOIGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2.C6H3Cl2NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5;7-3-1-9-2-4(8)5(3)6(10)11/h1-3H,(H,12,13);1-2H,(H,10,11).
What are the key properties of 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid?
3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 383.11 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 67661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).