4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine

C16H21F2N5O2 — CID 126678850

IUPAC4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESCCC(F)(F)C(Oc1cc(N)nc(NN)c1N)c1ccccc1OC
InChIInChI=1S/C16H21F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)22-15(23-21)13(11)20/h4-8,14H,3,20-21H2,1-2H3,(H3,19,22,23)
InChIKeyRDSQVIGBWKMTEL-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.71
Rot. Bonds7

About 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine

4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126678850) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126678850
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESCCC(F)(F)C(Oc1cc(N)nc(NN)c1N)c1ccccc1OC
InChIInChI=1S/C16H21F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)22-15(23-21)13(11)20/h4-8,14H,3,20-21H2,1-2H3,(H3,19,22,23)
InChIKeyRDSQVIGBWKMTEL-UHFFFAOYSA-N
XLogP2.71
TPSA121.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.71
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

7-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648773
3-[(4-Chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126648870
4-[[2-(Trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126648938
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-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
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
4-[(3-Bromo-2-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678826
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678829

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126678850) is 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine is CCC(F)(F)C(Oc1cc(N)nc(NN)c1N)c1ccccc1OC.
What is the InChIKey of 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is RDSQVIGBWKMTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-3-16(17,18)14(9-6-4-5-7-10(9)24-2)25-11-8-12(19)22-15(23-21)13(11)20/h4-8,14H,3,20-21H2,1-2H3,(H3,19,22,23).
What are the key properties of 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 353.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126678850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).