[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine

C12H11Cl3N4 — CID 105248707

IUPAC[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1ccncc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4/c13-8-4-9(14)12(18-5-8)11(19-16)3-7-1-2-17-6-10(7)15/h1-2,4-6,11,19H,3,16H2
InChIKeyNUNYEFFRXIMOKI-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds4

About [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine

[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine (PubChem CID 105248707) has the molecular formula C12H11Cl3N4 and a molecular weight of 317.61 g/mol. Its IUPAC name is [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
PubChem CID105248707
Molecular FormulaC12H11Cl3N4
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
SMILESNNC(Cc1ccncc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4/c13-8-4-9(14)12(18-5-8)11(19-16)3-7-1-2-17-6-10(7)15/h1-2,4-6,11,19H,3,16H2
InChIKeyNUNYEFFRXIMOKI-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.18
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 [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine (CID 105248707) is [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine is NNC(Cc1ccncc1Cl)c1ncc(Cl)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine?
The InChIKey is NUNYEFFRXIMOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4/c13-8-4-9(14)12(18-5-8)11(19-16)3-7-1-2-17-6-10(7)15/h1-2,4-6,11,19H,3,16H2.
What are the key properties of [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine?
[2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine has a molecular weight of 317.61 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105248707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).