N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C12H14ClF3N2O2 — CID 47220262

IUPACN-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O2/c1-11(2,3)18-9(19)7-4-8(13)10(17-5-7)20-6-12(14,15)16/h4-5H,6H2,1-3H3,(H,18,19)
InChIKeyRUHCOIFDGFMOKA-UHFFFAOYSA-N
MW310.70 g/mol
LogP3.20
Rot. Bonds3

About N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 47220262) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID47220262
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC NameN-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O2/c1-11(2,3)18-9(19)7-4-8(13)10(17-5-7)20-6-12(14,15)16/h4-5H,6H2,1-3H3,(H,18,19)
InChIKeyRUHCOIFDGFMOKA-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 47220262) is N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is RUHCOIFDGFMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-11(2,3)18-9(19)7-4-8(13)10(17-5-7)20-6-12(14,15)16/h4-5H,6H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 310.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 47220262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).