[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

C15H18BrN3O — CID 105251286

IUPAC[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)c2cncc(Br)c2)cc1
InChIInChI=1S/C15H18BrN3O/c1-10(2)20-14-5-3-11(4-6-14)15(19-17)12-7-13(16)9-18-8-12/h3-10,15,19H,17H2,1-2H3
InChIKeyCOFVGKVEPDOCSI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.18
Rot. Bonds5

About [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (PubChem CID 105251286) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
PubChem CID105251286
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)c2cncc(Br)c2)cc1
InChIInChI=1S/C15H18BrN3O/c1-10(2)20-14-5-3-11(4-6-14)15(19-17)12-7-13(16)9-18-8-12/h3-10,15,19H,17H2,1-2H3
InChIKeyCOFVGKVEPDOCSI-UHFFFAOYSA-N
XLogP3.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.18
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

[(4-propan-2-yloxyphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924195
[(4-ethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105197467
[(5-bromo-3-pyridinyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105251245
[(5-bromo-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105251101
[(5-bromo-3-pyridinyl)-naphthalen-2-ylmethyl]hydrazine
CID 105251096
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543
[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304152
[(4-methyl-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105279939
[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304109
[(3-bromo-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105268181
[(2-methyl-4-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 106756674

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (CID 105251286) is [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is CC(C)Oc1ccc(C(NN)c2cncc(Br)c2)cc1.
What is the InChIKey of [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The InChIKey is COFVGKVEPDOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)20-14-5-3-11(4-6-14)15(19-17)12-7-13(16)9-18-8-12/h3-10,15,19H,17H2,1-2H3.
What are the key properties of [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine has a molecular weight of 336.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105251286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).