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

C14H16BrN3 — CID 105267871

IUPAC[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
SMILESCCc1ccc(C(NN)c2ccc(Br)cn2)cc1
InChIInChI=1S/C14H16BrN3/c1-2-10-3-5-11(6-4-10)14(18-16)13-8-7-12(15)9-17-13/h3-9,14,18H,2,16H2,1H3
InChIKeyKCBVRSZSVYGWOL-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.96
Rot. Bonds4

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

[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine (PubChem CID 105267871) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
PubChem CID105267871
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
SMILESCCc1ccc(C(NN)c2ccc(Br)cn2)cc1
InChIInChI=1S/C14H16BrN3/c1-2-10-3-5-11(6-4-10)14(18-16)13-8-7-12(15)9-17-13/h3-9,14,18H,2,16H2,1H3
InChIKeyKCBVRSZSVYGWOL-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine (CID 105267871) is [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine is CCc1ccc(C(NN)c2ccc(Br)cn2)cc1.
What is the InChIKey of [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine?
The InChIKey is KCBVRSZSVYGWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-10-3-5-11(6-4-10)14(18-16)13-8-7-12(15)9-17-13/h3-9,14,18H,2,16H2,1H3.
What are the key properties of [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine?
[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine has a molecular weight of 306.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105267871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).