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

C11H12ClF3N4O — CID 62238262

IUPAC5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNNc1ncc(C(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C11H12ClF3N4O/c12-8-3-6(4-17-9(8)18-16)10(20)19(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5,16H2,(H,17,18)
InChIKeyAGSWUYDPGOAPFN-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.19
Rot. Bonds4

About 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 62238262) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID62238262
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNNc1ncc(C(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C11H12ClF3N4O/c12-8-3-6(4-17-9(8)18-16)10(20)19(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5,16H2,(H,17,18)
InChIKeyAGSWUYDPGOAPFN-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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Related Compounds

5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922544
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55041654
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55047231
5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62854972
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
N-cyclopropyl-4-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81255905
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 55009351
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 63862804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 62238262) is 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is NNc1ncc(C(=O)N(CC(F)(F)F)C2CC2)cc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is AGSWUYDPGOAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-8-3-6(4-17-9(8)18-16)10(20)19(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5,16H2,(H,17,18).
What are the key properties of 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-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 5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62238262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).