6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide

C8H6BrClFN3O2 — CID 154664078

IUPAC6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1cnc(Br)c(F)c1
InChIInChI=1S/C8H6BrClFN3O2/c9-7-5(11)1-4(3-12-7)8(16)14-13-6(15)2-10/h1,3H,2H2,(H,13,15)(H,14,16)
InChIKeyAHDGFRQALYXOQR-UHFFFAOYSA-N
MW310.51 g/mol
LogP0.98
Rot. Bonds2

About 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide

6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide (PubChem CID 154664078) has the molecular formula C8H6BrClFN3O2 and a molecular weight of 310.51 g/mol. Its IUPAC name is 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide
PubChem CID154664078
Molecular FormulaC8H6BrClFN3O2
Molecular Weight310.51 g/mol
Exact Mass308.93
IUPAC Name6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1cnc(Br)c(F)c1
InChIInChI=1S/C8H6BrClFN3O2/c9-7-5(11)1-4(3-12-7)8(16)14-13-6(15)2-10/h1,3H,2H2,(H,13,15)(H,14,16)
InChIKeyAHDGFRQALYXOQR-UHFFFAOYSA-N
XLogP0.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide?
The IUPAC name of 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide (CID 154664078) is 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide.
What is the SMILES notation for 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide?
The canonical SMILES for 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide is O=C(CCl)NNC(=O)c1cnc(Br)c(F)c1.
What is the InChIKey of 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide?
The InChIKey is AHDGFRQALYXOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFN3O2/c9-7-5(11)1-4(3-12-7)8(16)14-13-6(15)2-10/h1,3H,2H2,(H,13,15)(H,14,16).
What are the key properties of 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide?
6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide has a molecular weight of 310.51 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N'-(2-chloroacetyl)-5-fluoropyridine-3-carbohydrazide is sourced from PubChem (CID 154664078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).