N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide

C13H10BrFN4O3 — CID 18159793

IUPACN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1ccc(F)cc1Br)NNC(=O)c1cnccn1
InChIInChI=1S/C13H10BrFN4O3/c14-9-5-8(15)1-2-11(9)22-7-12(20)18-19-13(21)10-6-16-3-4-17-10/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyRNFAWAROZJTKSO-UHFFFAOYSA-N
MW369.15 g/mol
LogP1.22
Rot. Bonds4

About N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide

N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 18159793) has the molecular formula C13H10BrFN4O3 and a molecular weight of 369.15 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID18159793
Molecular FormulaC13H10BrFN4O3
Molecular Weight369.15 g/mol
Exact Mass367.99
IUPAC NameN'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESO=C(COc1ccc(F)cc1Br)NNC(=O)c1cnccn1
InChIInChI=1S/C13H10BrFN4O3/c14-9-5-8(15)1-2-11(9)22-7-12(20)18-19-13(21)10-6-16-3-4-17-10/h1-6H,7H2,(H,18,20)(H,19,21)
InChIKeyRNFAWAROZJTKSO-UHFFFAOYSA-N
XLogP1.22
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide (CID 18159793) is N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide is O=C(COc1ccc(F)cc1Br)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is RNFAWAROZJTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4O3/c14-9-5-8(15)1-2-11(9)22-7-12(20)18-19-13(21)10-6-16-3-4-17-10/h1-6H,7H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 369.15 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 18159793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).