4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

C13H15F2N5O2 — CID 126678797

IUPAC4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C13H15F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)19-12(20-18)11(9)17/h1-5,13H,6,17-18H2,(H3,16,19,20)
InChIKeyGVDCOYMALUJNCJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.71
Rot. Bonds6

About 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126678797) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126678797
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2ccc(OC(F)F)cc2)c1N
InChIInChI=1S/C13H15F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)19-12(20-18)11(9)17/h1-5,13H,6,17-18H2,(H3,16,19,20)
InChIKeyGVDCOYMALUJNCJ-UHFFFAOYSA-N
XLogP1.71
TPSA121.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

4-[[3-(2-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678935
methyl 3-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680550
4-[[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126680585
methyl 4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxybenzoate
CID 60558779
4-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126680575
methyl 3-chloro-4-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680569
1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine
CID 177372632
2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19550341
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97058293

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126678797) is 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(OCc2ccc(OC(F)F)cc2)c1N.
What is the InChIKey of 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is GVDCOYMALUJNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c14-13(15)22-8-3-1-7(2-4-8)6-21-9-5-10(16)19-12(20-18)11(9)17/h1-5,13H,6,17-18H2,(H3,16,19,20).
What are the key properties of 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 311.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126678797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).