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

C11H14ClF3N4O — CID 62236253

IUPAC3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C11H14ClF3N4O/c1-2-5-19(6-11(13,14)15)10(20)9-7(12)3-4-8(17-9)18-16/h3-4H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyBLJGYFLPLYIGDH-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.44
Rot. Bonds5

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

3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62236253) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62236253
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C11H14ClF3N4O/c1-2-5-19(6-11(13,14)15)10(20)9-7(12)3-4-8(17-9)18-16/h3-4H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyBLJGYFLPLYIGDH-UHFFFAOYSA-N
XLogP2.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.44
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-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62236253) is 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is BLJGYFLPLYIGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-2-5-19(6-11(13,14)15)10(20)9-7(12)3-4-8(17-9)18-16/h3-4H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 310.71 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62236253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).