[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine

C12H11BrF2N4O — CID 112747743

IUPAC[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine
SMILESCOc1ncc(C(NN)c2ccc(F)c(F)c2Br)cn1
InChIInChI=1S/C12H11BrF2N4O/c1-20-12-17-4-6(5-18-12)11(19-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,19H,16H2,1H3
InChIKeyDTMPUXTWQSUEOE-UHFFFAOYSA-N
MW345.15 g/mol
LogP2.08
Rot. Bonds4

About [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine

[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine (PubChem CID 112747743) has the molecular formula C12H11BrF2N4O and a molecular weight of 345.15 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine
PubChem CID112747743
Molecular FormulaC12H11BrF2N4O
Molecular Weight345.15 g/mol
Exact Mass344.01
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine
SMILESCOc1ncc(C(NN)c2ccc(F)c(F)c2Br)cn1
InChIInChI=1S/C12H11BrF2N4O/c1-20-12-17-4-6(5-18-12)11(19-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,19H,16H2,1H3
InChIKeyDTMPUXTWQSUEOE-UHFFFAOYSA-N
XLogP2.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 107541261
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(2-bromo-3,4-difluorophenyl)-(3-chlorothiophen-2-yl)methyl]hydrazine
CID 107541175
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 107541415
[(2-fluoro-4-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105256923

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine (CID 112747743) is [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine is COc1ncc(C(NN)c2ccc(F)c(F)c2Br)cn1.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine?
The InChIKey is DTMPUXTWQSUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N4O/c1-20-12-17-4-6(5-18-12)11(19-16)7-2-3-8(14)10(15)9(7)13/h2-5,11,19H,16H2,1H3.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine has a molecular weight of 345.15 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine is sourced from PubChem (CID 112747743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).