[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine

C13H12BrF2N3 — CID 106945509

IUPAC[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2c(F)ccc(Br)c2F)ccn1
InChIInChI=1S/C13H12BrF2N3/c1-7-6-8(4-5-18-7)13(19-17)11-10(15)3-2-9(14)12(11)16/h2-6,13,19H,17H2,1H3
InChIKeyZEQXAFGJNHJJHB-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.98
Rot. Bonds3

About [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine (PubChem CID 106945509) has the molecular formula C13H12BrF2N3 and a molecular weight of 328.16 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
PubChem CID106945509
Molecular FormulaC13H12BrF2N3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2c(F)ccc(Br)c2F)ccn1
InChIInChI=1S/C13H12BrF2N3/c1-7-6-8(4-5-18-7)13(19-17)11-10(15)3-2-9(14)12(11)16/h2-6,13,19H,17H2,1H3
InChIKeyZEQXAFGJNHJJHB-UHFFFAOYSA-N
XLogP2.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756542
[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 106945260
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
[(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204027
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
[(2-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106756526
[furan-2-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756549
[(3-bromo-5-methylphenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105330192
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine (CID 106945509) is [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine is Cc1cc(C(NN)c2c(F)ccc(Br)c2F)ccn1.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine?
The InChIKey is ZEQXAFGJNHJJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3/c1-7-6-8(4-5-18-7)13(19-17)11-10(15)3-2-9(14)12(11)16/h2-6,13,19H,17H2,1H3.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine has a molecular weight of 328.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 106945509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).