6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

C7H7F3N2O — CID 154063306

IUPAC6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=C(C(F)(F)F)NC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-2,12H,3H2,(H2,11,13)
InChIKeyYNCWYHDDMHVJFN-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.45
Rot. Bonds1

About 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (PubChem CID 154063306) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
PubChem CID154063306
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=C(C(F)(F)F)NC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-2,12H,3H2,(H2,11,13)
InChIKeyYNCWYHDDMHVJFN-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (CID 154063306) is 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide is NC(=O)C1=CC=C(C(F)(F)F)NC1.
What is the InChIKey of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
The InChIKey is YNCWYHDDMHVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-2,12H,3H2,(H2,11,13).
What are the key properties of 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide?
6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 154063306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).