6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C10H11ClF3N3O — CID 55041513

IUPAC6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C10H11ClF3N3O/c1-2-17(5-10(12,13)14)9(18)8-6(11)3-4-7(15)16-8/h3-4H,2,5H2,1H3,(H2,15,16)
InChIKeyWRCFSXXPBSLYCA-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.34
Rot. Bonds3

About 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 55041513) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.66 g/mol. Its IUPAC name is 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID55041513
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.66 g/mol
Exact Mass281.05
IUPAC Name6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C10H11ClF3N3O/c1-2-17(5-10(12,13)14)9(18)8-6(11)3-4-7(15)16-8/h3-4H,2,5H2,1H3,(H2,15,16)
InChIKeyWRCFSXXPBSLYCA-UHFFFAOYSA-N
XLogP2.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 55041513) is 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is WRCFSXXPBSLYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-2-17(5-10(12,13)14)9(18)8-6(11)3-4-7(15)16-8/h3-4H,2,5H2,1H3,(H2,15,16).
What are the key properties of 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55041513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).