4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline

C13H15BrN4 — CID 105263506

IUPAC4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
SMILESNNC(Cc1cccnc1)c1cc(Br)ccc1N
InChIInChI=1S/C13H15BrN4/c14-10-3-4-12(15)11(7-10)13(18-16)6-9-2-1-5-17-8-9/h1-5,7-8,13,18H,6,15-16H2
InChIKeyRUPHJFPAPQDFPJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.17
Rot. Bonds4

About 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline

4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline (PubChem CID 105263506) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
PubChem CID105263506
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline
SMILESNNC(Cc1cccnc1)c1cc(Br)ccc1N
InChIInChI=1S/C13H15BrN4/c14-10-3-4-12(15)11(7-10)13(18-16)6-9-2-1-5-17-8-9/h1-5,7-8,13,18H,6,15-16H2
InChIKeyRUPHJFPAPQDFPJ-UHFFFAOYSA-N
XLogP2.17
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-bromo-4-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 107997285
[1-(2-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
[1-(3-bromo-2-fluorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 106648787
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
CID 105263473
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
5-chloro-3-(1-hydrazinyl-2-pyridin-3-ylethyl)pyridin-2-amine
CID 105212191
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
4-bromo-2-[2-(5-ethyl-2-pyridinyl)-1-hydrazinylethyl]aniline
CID 105263426
[1-(5-bromothiophen-2-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105222156
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
[1-(5-bromo-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317484

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline?
The IUPAC name of 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline (CID 105263506) is 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline is NNC(Cc1cccnc1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline?
The InChIKey is RUPHJFPAPQDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-10-3-4-12(15)11(7-10)13(18-16)6-9-2-1-5-17-8-9/h1-5,7-8,13,18H,6,15-16H2.
What are the key properties of 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline?
4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline has a molecular weight of 307.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydrazinyl-2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 105263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).