[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine

C11H10BrFN4O — CID 83237844

IUPAC[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN4O/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyACHGKHMTDNBOEK-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.76
Rot. Bonds3

About [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine

[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 83237844) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID83237844
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN4O/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyACHGKHMTDNBOEK-UHFFFAOYSA-N
XLogP2.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine 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-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[4-(2-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917253
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 83237844) is [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is ACHGKHMTDNBOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-9(13)8(12)4-7/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 313.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 83237844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).