[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine

C16H13BrFN3 — CID 105281033

IUPAC[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
SMILESNNC(c1ccc2ncccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c17-12-4-5-13(14(18)9-12)16(21-19)11-3-6-15-10(8-11)2-1-7-20-15/h1-9,16,21H,19H2
InChIKeyFLKWLVDTYAFDNG-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

About [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine

[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine (PubChem CID 105281033) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
PubChem CID105281033
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
SMILESNNC(c1ccc2ncccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c17-12-4-5-13(14(18)9-12)16(21-19)11-3-6-15-10(8-11)2-1-7-20-15/h1-9,16,21H,19H2
InChIKeyFLKWLVDTYAFDNG-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.69
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

[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327263
[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882
[(3-fluoro-4-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105218542
[(3-bromophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105198115
[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105280520
[(3-fluoro-2-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105257952
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
[(3-bromo-2-chlorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327335
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
[(2,5-dichlorothiophen-3-yl)-quinolin-6-ylmethyl]hydrazine
CID 107970510
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The IUPAC name of [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine (CID 105281033) is [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine is NNC(c1ccc2ncccc2c1)c1ccc(Br)cc1F.
What is the InChIKey of [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The InChIKey is FLKWLVDTYAFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-4-5-13(14(18)9-12)16(21-19)11-3-6-15-10(8-11)2-1-7-20-15/h1-9,16,21H,19H2.
What are the key properties of [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine has a molecular weight of 346.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine is sourced from PubChem (CID 105281033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).