2-(2,6-dichloropyrimidin-4-yl)acetohydrazide

C6H6Cl2N4O — CID 170331826

IUPAC2-(2,6-dichloropyrimidin-4-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O/c7-4-1-3(2-5(13)12-9)10-6(8)11-4/h1H,2,9H2,(H,12,13)
InChIKeyBWRUXSUEOQXQQP-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.32
Rot. Bonds2

About 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide

2-(2,6-dichloropyrimidin-4-yl)acetohydrazide (PubChem CID 170331826) has the molecular formula C6H6Cl2N4O and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,6-dichloropyrimidin-4-yl)acetohydrazide
PubChem CID170331826
Molecular FormulaC6H6Cl2N4O
Molecular Weight221.05 g/mol
Exact Mass219.99
IUPAC Name2-(2,6-dichloropyrimidin-4-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O/c7-4-1-3(2-5(13)12-9)10-6(8)11-4/h1H,2,9H2,(H,12,13)
InChIKeyBWRUXSUEOQXQQP-UHFFFAOYSA-N
XLogP0.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide (CID 170331826) is 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide is NNC(=O)Cc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide?
The InChIKey is BWRUXSUEOQXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4O/c7-4-1-3(2-5(13)12-9)10-6(8)11-4/h1H,2,9H2,(H,12,13).
What are the key properties of 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide?
2-(2,6-dichloropyrimidin-4-yl)acetohydrazide has a molecular weight of 221.05 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloropyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 170331826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).