[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine

C12H11BrClN3O — CID 62246224

IUPAC[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(COc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C12H11BrClN3O/c13-10-5-9(14)2-3-11(10)18-7-8-1-4-12(17-15)16-6-8/h1-6H,7,15H2,(H,16,17)
InChIKeyUAHOQGJULFGMQP-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.36
Rot. Bonds4

About [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine

[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62246224) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62246224
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(COc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C12H11BrClN3O/c13-10-5-9(14)2-3-11(10)18-7-8-1-4-12(17-15)16-6-8/h1-6H,7,15H2,(H,16,17)
InChIKeyUAHOQGJULFGMQP-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.36
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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Related Compounds

[5-[(4-chlorophenyl)methoxymethyl]-2-pyridinyl]hydrazine
CID 65125676
[5-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 64855843
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
5-[(2,4-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 64719771
[5-[(3-bromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246032
[5-[(2-iodophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246023
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350753
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
5-[(2-chloro-4-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 55104810

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine (CID 62246224) is [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1ccc(COc2ccc(Cl)cc2Br)cn1.
What is the InChIKey of [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is UAHOQGJULFGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c13-10-5-9(14)2-3-11(10)18-7-8-1-4-12(17-15)16-6-8/h1-6H,7,15H2,(H,16,17).
What are the key properties of [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine?
[5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 328.60 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromo-4-chlorophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).