N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H16ClF3N4 — CID 62893050

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C11H16ClF3N4/c1-7(2)19(6-11(13,14)15)5-9-8(12)3-4-10(17-9)18-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyWMCCDRIZJQWNJE-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.79
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 62893050) has the molecular formula C11H16ClF3N4 and a molecular weight of 296.72 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID62893050
Molecular FormulaC11H16ClF3N4
Molecular Weight296.72 g/mol
Exact Mass296.10
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C11H16ClF3N4/c1-7(2)19(6-11(13,14)15)5-9-8(12)3-4-10(17-9)18-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyWMCCDRIZJQWNJE-UHFFFAOYSA-N
XLogP2.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.79
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 N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 62893050) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1nc(NN)ccc1Cl)CC(F)(F)F.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is WMCCDRIZJQWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N4/c1-7(2)19(6-11(13,14)15)5-9-8(12)3-4-10(17-9)18-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 296.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 62893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).