[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine

C12H10BrClFN3 — CID 106765183

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
SMILESNNC(c1ccccn1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H10BrClFN3/c13-8-5-4-7(11(15)10(8)14)12(18-16)9-3-1-2-6-17-9/h1-6,12,18H,16H2
InChIKeyDBWVOGSBMLATST-UHFFFAOYSA-N
MW330.59 g/mol
LogP3.19
Rot. Bonds3

About [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine

[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine (PubChem CID 106765183) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
PubChem CID106765183
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine
SMILESNNC(c1ccccn1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H10BrClFN3/c13-8-5-4-7(11(15)10(8)14)12(18-16)9-3-1-2-6-17-9/h1-6,12,18H,16H2
InChIKeyDBWVOGSBMLATST-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine (CID 106765183) is [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine is NNC(c1ccccn1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine?
The InChIKey is DBWVOGSBMLATST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c13-8-5-4-7(11(15)10(8)14)12(18-16)9-3-1-2-6-17-9/h1-6,12,18H,16H2.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine has a molecular weight of 330.59 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]hydrazine is sourced from PubChem (CID 106765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).