[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine

C13H18BrF2N3O — CID 90456016

IUPAC[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine
SMILESCC1(COc2cc(NN)ncc2Br)CCC(F)(F)CC1
InChIInChI=1S/C13H18BrF2N3O/c1-12(2-4-13(15,16)5-3-12)8-20-10-6-11(19-17)18-7-9(10)14/h6-7H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyPDMMZAHDAQQEAB-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.72
Rot. Bonds4

About [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine

[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine (PubChem CID 90456016) has the molecular formula C13H18BrF2N3O and a molecular weight of 350.21 g/mol. Its IUPAC name is [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine
PubChem CID90456016
Molecular FormulaC13H18BrF2N3O
Molecular Weight350.21 g/mol
Exact Mass349.06
IUPAC Name[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine
SMILESCC1(COc2cc(NN)ncc2Br)CCC(F)(F)CC1
InChIInChI=1S/C13H18BrF2N3O/c1-12(2-4-13(15,16)5-3-12)8-20-10-6-11(19-17)18-7-9(10)14/h6-7H,2-5,8,17H2,1H3,(H,18,19)
InChIKeyPDMMZAHDAQQEAB-UHFFFAOYSA-N
XLogP3.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.72
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 [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine?
The IUPAC name of [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine (CID 90456016) is [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine is CC1(COc2cc(NN)ncc2Br)CCC(F)(F)CC1.
What is the InChIKey of [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine?
The InChIKey is PDMMZAHDAQQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2N3O/c1-12(2-4-13(15,16)5-3-12)8-20-10-6-11(19-17)18-7-9(10)14/h6-7H,2-5,8,17H2,1H3,(H,18,19).
What are the key properties of [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine?
[5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine has a molecular weight of 350.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[(4,4-difluoro-1-methylcyclohexyl)methoxy]-2-pyridinyl]hydrazine is sourced from PubChem (CID 90456016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).