4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

C12H13F6N5OS — CID 126680585

IUPAC4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cc(S(F)(F)(F)(F)F)ccc2F)c1N
InChIInChI=1S/C12H13F6N5OS/c13-8-2-1-7(25(14,15,16,17)18)3-6(8)5-24-9-4-10(19)22-12(23-21)11(9)20/h1-4H,5,20-21H2,(H3,19,22,23)
InChIKeyMAPYQVZHWGHULG-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.91
Rot. Bonds5

About 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126680585) has the molecular formula C12H13F6N5OS and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126680585
Molecular FormulaC12H13F6N5OS
Molecular Weight389.33 g/mol
Exact Mass389.07
IUPAC Name4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cc(S(F)(F)(F)(F)F)ccc2F)c1N
InChIInChI=1S/C12H13F6N5OS/c13-8-2-1-7(25(14,15,16,17)18)3-6(8)5-24-9-4-10(19)22-12(23-21)11(9)20/h1-4H,5,20-21H2,(H3,19,22,23)
InChIKeyMAPYQVZHWGHULG-UHFFFAOYSA-N
XLogP3.91
TPSA112.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.91
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'}

Analyze 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(2-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678935
4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678860
4-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126680575
4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678797
methyl 3-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680550
7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126680564
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
4-bromo-6-hydrazinylpyridine-2,5-diamine
CID 126676407
N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide
CID 135312992
2-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]-5-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzonitrile
CID 126680037
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126680585) is 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(OCc2cc(S(F)(F)(F)(F)F)ccc2F)c1N.
What is the InChIKey of 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is MAPYQVZHWGHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N5OS/c13-8-2-1-7(25(14,15,16,17)18)3-6(8)5-24-9-4-10(19)22-12(23-21)11(9)20/h1-4H,5,20-21H2,(H3,19,22,23).
What are the key properties of 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 389.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126680585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).