[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine

C12H12BrFN4 — CID 105260559

IUPAC[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H12BrFN4/c1-7-16-5-4-11(17-7)12(18-15)9-6-8(13)2-3-10(9)14/h2-6,12,18H,15H2,1H3
InChIKeyMUZIGUIPBDUIDC-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.24
Rot. Bonds3

About [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine

[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine (PubChem CID 105260559) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
PubChem CID105260559
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H12BrFN4/c1-7-16-5-4-11(17-7)12(18-15)9-6-8(13)2-3-10(9)14/h2-6,12,18H,15H2,1H3
InChIKeyMUZIGUIPBDUIDC-UHFFFAOYSA-N
XLogP2.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 107292392
[(5-bromo-2-fluorophenyl)-isoquinolin-1-ylmethyl]hydrazine
CID 105220642
[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194403
5-chloro-3-[hydrazinyl-(2-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 105260556
[(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methyl]hydrazine
CID 105323074
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260527
[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260453
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220915
[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine (CID 105260559) is [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine is Cc1nccc(C(NN)c2cc(Br)ccc2F)n1.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The InChIKey is MUZIGUIPBDUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c1-7-16-5-4-11(17-7)12(18-15)9-6-8(13)2-3-10(9)14/h2-6,12,18H,15H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine has a molecular weight of 311.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 105260559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).