4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine

C12H13BrFN5O — CID 126678826

IUPAC4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cccc(Br)c2F)c1N
InChIInChI=1S/C12H13BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)18-12(19-17)11(8)16/h1-4H,5,16-17H2,(H3,15,18,19)
InChIKeyJUBRQGSVENMCTP-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.01
Rot. Bonds4

About 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine

4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126678826) has the molecular formula C12H13BrFN5O and a molecular weight of 342.17 g/mol. Its IUPAC name is 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126678826
Molecular FormulaC12H13BrFN5O
Molecular Weight342.17 g/mol
Exact Mass341.03
IUPAC Name4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cccc(Br)c2F)c1N
InChIInChI=1S/C12H13BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)18-12(19-17)11(8)16/h1-4H,5,16-17H2,(H3,15,18,19)
InChIKeyJUBRQGSVENMCTP-UHFFFAOYSA-N
XLogP2.01
TPSA112.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

7-[(3-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648876
7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649019
7-[(5-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649209
4-[(2,6-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678665
6-Hydrazinyl-4-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678773
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
CID 126678774
7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678796
4-[[4-(Difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678797
4-[[3-(3-Fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678820
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678829
4-[2,2-Difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678850
4-[[2-Fluoro-5-(3-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678862

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126678826) is 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(OCc2cccc(Br)c2F)c1N.
What is the InChIKey of 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is JUBRQGSVENMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)18-12(19-17)11(8)16/h1-4H,5,16-17H2,(H3,15,18,19).
What are the key properties of 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 342.17 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).