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

C11H12ClF3N4O — CID 62235696

IUPAC3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H12ClF3N4O/c12-7-3-4-8(18-16)17-9(7)10(20)19(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5,16H2,(H,17,18)
InChIKeyOAPJDZHOICGZQG-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.19
Rot. Bonds4

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

3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62235696) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62235696
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H12ClF3N4O/c12-7-3-4-8(18-16)17-9(7)10(20)19(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5,16H2,(H,17,18)
InChIKeyOAPJDZHOICGZQG-UHFFFAOYSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.19
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-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62235696) is 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is OAPJDZHOICGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-7-3-4-8(18-16)17-9(7)10(20)19(6-1-2-6)5-11(13,14)15/h3-4,6H,1-2,5,16H2,(H,17,18).
What are the key properties of 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 308.69 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62235696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).