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

C10H12ClF3N4O — CID 62236804

IUPAC3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C10H12ClF3N4O/c1-2-18(5-10(12,13)14)9(19)8-6(11)3-4-7(16-8)17-15/h3-4H,2,5,15H2,1H3,(H,16,17)
InChIKeyCQWVNHXLBOIJQZ-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.05
Rot. Bonds4

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

3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62236804) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62236804
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C10H12ClF3N4O/c1-2-18(5-10(12,13)14)9(19)8-6(11)3-4-7(16-8)17-15/h3-4H,2,5,15H2,1H3,(H,16,17)
InChIKeyCQWVNHXLBOIJQZ-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62236804) is 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is CQWVNHXLBOIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-2-18(5-10(12,13)14)9(19)8-6(11)3-4-7(16-8)17-15/h3-4H,2,5,15H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 296.68 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62236804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).