[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine

C12H14BrClN2O — CID 107948477

IUPAC[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
SMILESNNC(C1=COCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-9(5-11(14)6-10)12(16-15)8-2-1-3-17-7-8/h4-7,12,16H,1-3,15H2
InChIKeyGFCFCVLOESWJBR-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.30
Rot. Bonds3

About [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine

[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine (PubChem CID 107948477) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
PubChem CID107948477
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
SMILESNNC(C1=COCCC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-9(5-11(14)6-10)12(16-15)8-2-1-3-17-7-8/h4-7,12,16H,1-3,15H2
InChIKeyGFCFCVLOESWJBR-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[3,4-dihydro-2H-pyran-5-yl-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208035
[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105333182
[3,4-dihydro-2H-pyran-5-yl-(4-iodophenyl)methyl]hydrazine
CID 105333272
[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 107948543
[(5-bromo-2-pyridinyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105267637
[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105333247
[(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 107948431
[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526
[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107948244
[(3-bromo-5-chlorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 107948017

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine (CID 107948477) is [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine is NNC(C1=COCCC1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The InChIKey is GFCFCVLOESWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-10-4-9(5-11(14)6-10)12(16-15)8-2-1-3-17-7-8/h4-7,12,16H,1-3,15H2.
What are the key properties of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine has a molecular weight of 317.61 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine is sourced from PubChem (CID 107948477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).