3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine

C12H14BrN5 — CID 105268247

IUPAC3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
SMILESNNC(Cc1cnccc1N)c1ncccc1Br
InChIInChI=1S/C12H14BrN5/c13-9-2-1-4-17-12(9)11(18-15)6-8-7-16-5-3-10(8)14/h1-5,7,11,18H,6,15H2,(H2,14,16)
InChIKeyPESIBLDZWGDLNN-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.57
Rot. Bonds4

About 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine

3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine (PubChem CID 105268247) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
PubChem CID105268247
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
SMILESNNC(Cc1cnccc1N)c1ncccc1Br
InChIInChI=1S/C12H14BrN5/c13-9-2-1-4-17-12(9)11(18-15)6-8-7-16-5-3-10(8)14/h1-5,7,11,18H,6,15H2,(H2,14,16)
InChIKeyPESIBLDZWGDLNN-UHFFFAOYSA-N
XLogP1.57
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105268167
3-[2-(2-bromo-4-methylphenyl)-2-hydrazinylethyl]pyridin-4-amine
CID 114015578
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
[2-(2-bromophenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445803
[1-(3-bromo-2-pyridinyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105268027
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 105230663
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
[1-(3-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105268203
1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
CID 105268068
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
[1-(3-bromo-2-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105267993
3-[2-hydrazinyl-2-(4-methoxyphenyl)ethyl]pyridin-4-amine
CID 105191007

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine (CID 105268247) is 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine is NNC(Cc1cnccc1N)c1ncccc1Br.
What is the InChIKey of 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine?
The InChIKey is PESIBLDZWGDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c13-9-2-1-4-17-12(9)11(18-15)6-8-7-16-5-3-10(8)14/h1-5,7,11,18H,6,15H2,(H2,14,16).
What are the key properties of 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine?
3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine is sourced from PubChem (CID 105268247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).