[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine

C13H13BrFN3 — CID 105288068

IUPAC[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C13H13BrFN3/c1-8-2-3-11(12(14)4-8)13(18-16)9-5-10(15)7-17-6-9/h2-7,13,18H,16H2,1H3
InChIKeyFNQGTTLAJWXTNZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.84
Rot. Bonds3

About [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine

[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine (PubChem CID 105288068) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
PubChem CID105288068
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C13H13BrFN3/c1-8-2-3-11(12(14)4-8)13(18-16)9-5-10(15)7-17-6-9/h2-7,13,18H,16H2,1H3
InChIKeyFNQGTTLAJWXTNZ-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286712
[(2-bromo-4-methylphenyl)-phenylmethyl]hydrazine
CID 105282916
[(5-fluoro-3-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759931
[(5-bromofuran-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288205
[(2-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105281300
[(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105288108
[(2,4-dichlorophenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288029
[(3,5-dibromophenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 107978916
[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
[(2-bromo-4-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292323
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine (CID 105288068) is [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine is Cc1ccc(C(NN)c2cncc(F)c2)c(Br)c1.
What is the InChIKey of [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The InChIKey is FNQGTTLAJWXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-8-2-3-11(12(14)4-8)13(18-16)9-5-10(15)7-17-6-9/h2-7,13,18H,16H2,1H3.
What are the key properties of [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine?
[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine has a molecular weight of 310.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105288068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).