[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

C12H10BrClFN3O — CID 55127788

IUPAC[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H10BrClFN3O/c13-8-5-7(15)1-3-11(8)19-6-10-9(14)2-4-12(17-10)18-16/h1-5H,6,16H2,(H,17,18)
InChIKeyUAAQBMQTHLEMSN-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.50
Rot. Bonds4

About [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine

[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (PubChem CID 55127788) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
PubChem CID55127788
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H10BrClFN3O/c13-8-5-7(15)1-3-11(8)19-6-10-9(14)2-4-12(17-10)18-16/h1-5H,6,16H2,(H,17,18)
InChIKeyUAAQBMQTHLEMSN-UHFFFAOYSA-N
XLogP3.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.50
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 [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine (CID 55127788) is [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COc2ccc(F)cc2Br)n1.
What is the InChIKey of [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
The InChIKey is UAAQBMQTHLEMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c13-8-5-7(15)1-3-11(8)19-6-10-9(14)2-4-12(17-10)18-16/h1-5H,6,16H2,(H,17,18).
What are the key properties of [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine?
[6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine has a molecular weight of 346.59 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 55127788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).