[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine

C16H13BrFN3 — CID 105326935

IUPAC[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cccc(F)c1Br)c1cccc2ncccc12
InChIInChI=1S/C16H13BrFN3/c17-15-12(5-1-7-13(15)18)16(21-19)11-4-2-8-14-10(11)6-3-9-20-14/h1-9,16,21H,19H2
InChIKeyDSBKXSKJQKFGLW-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.69
Rot. Bonds3

About [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine

[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine (PubChem CID 105326935) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
PubChem CID105326935
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
SMILESNNC(c1cccc(F)c1Br)c1cccc2ncccc12
InChIInChI=1S/C16H13BrFN3/c17-15-12(5-1-7-13(15)18)16(21-19)11-4-2-8-14-10(11)6-3-9-20-14/h1-9,16,21H,19H2
InChIKeyDSBKXSKJQKFGLW-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

[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
[(4-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326969
[(2-bromo-3-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292326
[(2-iodophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326944
[phenyl(quinolin-5-yl)methyl]hydrazine
CID 105199350
[(2,4-dichlorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326912
[(2-bromo-3-fluorophenyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300521
[(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326977
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
[(3-ethyl-2-pyridinyl)-quinolin-5-ylmethyl]hydrazine
CID 105263880
[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105195623
[2-(4-fluorophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105198380

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine (CID 105326935) is [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine is NNC(c1cccc(F)c1Br)c1cccc2ncccc12.
What is the InChIKey of [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine?
The InChIKey is DSBKXSKJQKFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-15-12(5-1-7-13(15)18)16(21-19)11-4-2-8-14-10(11)6-3-9-20-14/h1-9,16,21H,19H2.
What are the key properties of [(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine?
[(2-bromo-3-fluorophenyl)-quinolin-5-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-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).