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

C16H13BrFN3 — CID 105280520

IUPAC[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
SMILESNNC(c1ccc2ncccc2c1)c1c(F)cccc1Br
InChIInChI=1S/C16H13BrFN3/c17-12-4-1-5-13(18)15(12)16(21-19)11-6-7-14-10(9-11)3-2-8-20-14/h1-9,16,21H,19H2
InChIKeyIDCZYSMKHSZOCX-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

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

[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine (PubChem CID 105280520) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
PubChem CID105280520
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
SMILESNNC(c1ccc2ncccc2c1)c1c(F)cccc1Br
InChIInChI=1S/C16H13BrFN3/c17-12-4-1-5-13(18)15(12)16(21-19)11-6-7-14-10(9-11)3-2-8-20-14/h1-9,16,21H,19H2
InChIKeyIDCZYSMKHSZOCX-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

[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882
[(3-fluoro-2-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105257952
[(3-bromophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105198115
[(3-bromo-2-chlorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327335
[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105281033
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
[(2-chloro-6-fluorophenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327480
[(3-fluoro-4-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105218542
(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327263
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
[(3-bromo-2-pyridinyl)-(2-methylquinolin-6-yl)methyl]hydrazine
CID 105268086

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The IUPAC name of [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine (CID 105280520) is [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine.
What is the SMILES notation for [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The canonical SMILES for [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine is NNC(c1ccc2ncccc2c1)c1c(F)cccc1Br.
What is the InChIKey of [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
The InChIKey is IDCZYSMKHSZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-4-1-5-13(18)15(12)16(21-19)11-6-7-14-10(9-11)3-2-8-20-14/h1-9,16,21H,19H2.
What are the key properties of [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine?
[(2-bromo-6-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 [(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine is sourced from PubChem (CID 105280520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).