3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C8H5Cl2F3N2O2 — CID 86647335

IUPAC3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)c(OCC(F)(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F3N2O2/c9-3-1-15-5(7(14)16)4(10)6(3)17-2-8(11,12)13/h1H,2H2,(H2,14,16)
InChIKeyCNUAAYFMOZMAPA-UHFFFAOYSA-N
MW289.04 g/mol
LogP2.43
Rot. Bonds3

About 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 86647335) has the molecular formula C8H5Cl2F3N2O2 and a molecular weight of 289.04 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID86647335
Molecular FormulaC8H5Cl2F3N2O2
Molecular Weight289.04 g/mol
Exact Mass287.97
IUPAC Name3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)c(OCC(F)(F)F)c1Cl
InChIInChI=1S/C8H5Cl2F3N2O2/c9-3-1-15-5(7(14)16)4(10)6(3)17-2-8(11,12)13/h1H,2H2,(H2,14,16)
InChIKeyCNUAAYFMOZMAPA-UHFFFAOYSA-N
XLogP2.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.04
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 86647335) is 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is NC(=O)c1ncc(Cl)c(OCC(F)(F)F)c1Cl.
What is the InChIKey of 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is CNUAAYFMOZMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3N2O2/c9-3-1-15-5(7(14)16)4(10)6(3)17-2-8(11,12)13/h1H,2H2,(H2,14,16).
What are the key properties of 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 289.04 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 86647335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).