[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine

C12H11ClFN3 — CID 105253001

IUPAC[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)nc1)c1ccccc1F
InChIInChI=1S/C12H11ClFN3/c13-11-6-5-8(7-16-11)12(17-15)9-3-1-2-4-10(9)14/h1-7,12,17H,15H2
InChIKeyXYDQXDNFYWRIEZ-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.43
Rot. Bonds3

About [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine

[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine (PubChem CID 105253001) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine
PubChem CID105253001
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)nc1)c1ccccc1F
InChIInChI=1S/C12H11ClFN3/c13-11-6-5-8(7-16-11)12(17-15)9-3-1-2-4-10(9)14/h1-7,12,17H,15H2
InChIKeyXYDQXDNFYWRIEZ-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine (CID 105253001) is [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine is NNC(c1ccc(Cl)nc1)c1ccccc1F.
What is the InChIKey of [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine?
The InChIKey is XYDQXDNFYWRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-11-6-5-8(7-16-11)12(17-15)9-3-1-2-4-10(9)14/h1-7,12,17H,15H2.
What are the key properties of [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine?
[(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine has a molecular weight of 251.69 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloro-3-pyridinyl)-(2-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).