[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine

C16H20BrN3 — CID 105334652

IUPAC[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCc1cccc(CCC(Cc2ccc(Br)cn2)NN)c1
InChIInChI=1S/C16H20BrN3/c1-12-3-2-4-13(9-12)5-7-16(20-18)10-15-8-6-14(17)11-19-15/h2-4,6,8-9,11,16,20H,5,7,10,18H2,1H3
InChIKeyCKGKIIIVACZWLV-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.16
Rot. Bonds6

About [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine

[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine (PubChem CID 105334652) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
PubChem CID105334652
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
SMILESCc1cccc(CCC(Cc2ccc(Br)cn2)NN)c1
InChIInChI=1S/C16H20BrN3/c1-12-3-2-4-13(9-12)5-7-16(20-18)10-15-8-6-14(17)11-19-15/h2-4,6,8-9,11,16,20H,5,7,10,18H2,1H3
InChIKeyCKGKIIIVACZWLV-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.16
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

[1-(5-ethyl-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105324467
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105413124
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
5-bromo-2-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 104809988

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine (CID 105334652) is [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine is Cc1cccc(CCC(Cc2ccc(Br)cn2)NN)c1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
The InChIKey is CKGKIIIVACZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-3-2-4-13(9-12)5-7-16(20-18)10-15-8-6-14(17)11-19-15/h2-4,6,8-9,11,16,20H,5,7,10,18H2,1H3.
What are the key properties of [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine?
[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine has a molecular weight of 334.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105334652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).