3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine

C13H13Cl2FN4 — CID 102761792

IUPAC3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
SMILESCC(Nc1nc(NN)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H13Cl2FN4/c1-7(8-2-4-9(16)5-3-8)18-12-10(14)6-11(15)13(19-12)20-17/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyLXMZUMAHPBKHPF-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.99
Rot. Bonds4

About 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine

3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine (PubChem CID 102761792) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
PubChem CID102761792
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
SMILESCC(Nc1nc(NN)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H13Cl2FN4/c1-7(8-2-4-9(16)5-3-8)18-12-10(14)6-11(15)13(19-12)20-17/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyLXMZUMAHPBKHPF-UHFFFAOYSA-N
XLogP3.99
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.99
H-Bond Donors ≤ 53
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 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine (CID 102761792) is 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine is CC(Nc1nc(NN)c(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine?
The InChIKey is LXMZUMAHPBKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-7(8-2-4-9(16)5-3-8)18-12-10(14)6-11(15)13(19-12)20-17/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine?
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine has a molecular weight of 315.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 102761792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).