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

C13H16BrN5O2 — CID 126678860

IUPAC4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1COc1cc(N)nc(NN)c1N
InChIInChI=1S/C13H16BrN5O2/c1-20-9-3-2-8(14)4-7(9)6-21-10-5-11(15)18-13(19-17)12(10)16/h2-5H,6,16-17H2,1H3,(H3,15,18,19)
InChIKeyFICGMTCBHQSCDF-UHFFFAOYSA-N
MW354.21 g/mol
LogP1.88
Rot. Bonds5

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

4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126678860) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126678860
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1COc1cc(N)nc(NN)c1N
InChIInChI=1S/C13H16BrN5O2/c1-20-9-3-2-8(14)4-7(9)6-21-10-5-11(15)18-13(19-17)12(10)16/h2-5H,6,16-17H2,1H3,(H3,15,18,19)
InChIKeyFICGMTCBHQSCDF-UHFFFAOYSA-N
XLogP1.88
TPSA121.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 51.88
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-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
CID 103008574
methyl 3-chloro-4-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680569
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126678860) is 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is COc1ccc(Br)cc1COc1cc(N)nc(NN)c1N.
What is the InChIKey of 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is FICGMTCBHQSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-20-9-3-2-8(14)4-7(9)6-21-10-5-11(15)18-13(19-17)12(10)16/h2-5H,6,16-17H2,1H3,(H3,15,18,19).
What are the key properties of 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 354.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxyphenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126678860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).