1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide

C15H20BrN5O2 — CID 144784206

IUPAC1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cccc(OCc2c(Br)cccc2N(C)N)n1.NNC=O
InChIInChI=1S/C14H16BrN3O.CH4N2O/c1-10-5-3-8-14(17-10)19-9-11-12(15)6-4-7-13(11)18(2)16;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyLMBOZFXYAKYERZ-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.65
Rot. Bonds5

About 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144784206) has the molecular formula C15H20BrN5O2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144784206
Molecular FormulaC15H20BrN5O2
Molecular Weight382.26 g/mol
Exact Mass381.08
IUPAC Name1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cccc(OCc2c(Br)cccc2N(C)N)n1.NNC=O
InChIInChI=1S/C14H16BrN3O.CH4N2O/c1-10-5-3-8-14(17-10)19-9-11-12(15)6-4-7-13(11)18(2)16;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyLMBOZFXYAKYERZ-UHFFFAOYSA-N
XLogP1.65
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144784276
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]benzoic acid
CID 144783930
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
1,3-diamino-1-[3-ethyl-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-3-methylurea
CID 134547960
1-[2-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134548036
1,3-diamino-1-[3-cyclopropyl-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]urea
CID 134548027
1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784323
1-[2-[[3-(4-chlorophenyl)-5-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144739226
4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-N,3-dimethyl-N-phenylaniline;formohydrazide
CID 144784749
1-[3-(difluoromethoxy)-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
CID 144784198
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144784206) is 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide is Cc1cccc(OCc2c(Br)cccc2N(C)N)n1.NNC=O.
What is the InChIKey of 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is LMBOZFXYAKYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O.CH4N2O/c1-10-5-3-8-14(17-10)19-9-11-12(15)6-4-7-13(11)18(2)16;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 382.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144784206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).