benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine

C14H12F3N3O2 — CID 175305816

IUPACbenzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccccn1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O2.C6H4F3N/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-6(8,9)5-3-1-2-4-10-5/h1-4H,(H2,9,11)(H2,10,12);1-4H
InChIKeyGPIFHQKVYUIBIM-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.98
Rot. Bonds2

About benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine

benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine (PubChem CID 175305816) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebenzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
PubChem CID175305816
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Namebenzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccccn1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O2.C6H4F3N/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-6(8,9)5-3-1-2-4-10-5/h1-4H,(H2,9,11)(H2,10,12);1-4H
InChIKeyGPIFHQKVYUIBIM-UHFFFAOYSA-N
XLogP1.98
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine?
The IUPAC name of benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine (CID 175305816) is benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine.
What is the SMILES notation for benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine?
The canonical SMILES for benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine is FC(F)(F)c1ccccn1.NC(=O)c1ccccc1C(N)=O.
What is the InChIKey of benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine?
The InChIKey is GPIFHQKVYUIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C6H4F3N/c9-7(11)5-3-1-2-4-6(5)8(10)12;7-6(8,9)5-3-1-2-4-10-5/h1-4H,(H2,9,11)(H2,10,12);1-4H.
What are the key properties of benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine?
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine has a molecular weight of 311.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175305816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).