[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine

C13H13BrClN3 — CID 105317536

IUPAC[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN3/c14-11-2-1-10(8-12(11)15)13(18-16)7-9-3-5-17-6-4-9/h1-6,8,13,18H,7,16H2
InChIKeyKBVGYOFSAHNECX-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.24
Rot. Bonds4

About [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine

[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine (PubChem CID 105317536) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
PubChem CID105317536
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN3/c14-11-2-1-10(8-12(11)15)13(18-16)7-9-3-5-17-6-4-9/h1-6,8,13,18H,7,16H2
InChIKeyKBVGYOFSAHNECX-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.24
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-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
[1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413118
[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291168
[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295531
[1-(3,4-dimethylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212485
[1-(3,4-difluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105197180
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
[1-(4-bromo-3-chlorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342880
[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105192807
[1-(4-bromo-3-chlorophenyl)-2-methoxyethyl]hydrazine
CID 105321658
[2-(4-bromophenyl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217259

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine (CID 105317536) is [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine is NNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine?
The InChIKey is KBVGYOFSAHNECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-11-2-1-10(8-12(11)15)13(18-16)7-9-3-5-17-6-4-9/h1-6,8,13,18H,7,16H2.
What are the key properties of [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine?
[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine has a molecular weight of 326.63 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine is sourced from PubChem (CID 105317536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).