[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C12H9Cl2F3N4 — CID 102710376

IUPAC[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N4/c13-6-3-9(14)11(20-4-6)10(21-18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10,21H,18H2
InChIKeyLCCNCRUPFCMSDQ-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.35
Rot. Bonds3

About [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710376) has the molecular formula C12H9Cl2F3N4 and a molecular weight of 337.13 g/mol. Its IUPAC name is [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710376
Molecular FormulaC12H9Cl2F3N4
Molecular Weight337.13 g/mol
Exact Mass336.02
IUPAC Name[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N4/c13-6-3-9(14)11(20-4-6)10(21-18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10,21H,18H2
InChIKeyLCCNCRUPFCMSDQ-UHFFFAOYSA-N
XLogP3.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.35
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 [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710376) is [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl.
What is the InChIKey of [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is LCCNCRUPFCMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N4/c13-6-3-9(14)11(20-4-6)10(21-18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10,21H,18H2.
What are the key properties of [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 337.13 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).