nitroso 3,5-dichloropyridine-4-carboxylate

C6H2Cl2N2O3 — CID 175364088

IUPACnitroso 3,5-dichloropyridine-4-carboxylate
SMILESO=NOC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl2N2O3/c7-3-1-9-2-4(8)5(3)6(11)13-10-12/h1-2H
InChIKeyUSUIRSDYUHFDSP-UHFFFAOYSA-N
MW221.00 g/mol
LogP2.23
Rot. Bonds2

About nitroso 3,5-dichloropyridine-4-carboxylate

nitroso 3,5-dichloropyridine-4-carboxylate (PubChem CID 175364088) has the molecular formula C6H2Cl2N2O3 and a molecular weight of 221.00 g/mol. Its IUPAC name is nitroso 3,5-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Namenitroso 3,5-dichloropyridine-4-carboxylate
PubChem CID175364088
Molecular FormulaC6H2Cl2N2O3
Molecular Weight221.00 g/mol
Exact Mass219.94
IUPAC Namenitroso 3,5-dichloropyridine-4-carboxylate
SMILESO=NOC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl2N2O3/c7-3-1-9-2-4(8)5(3)6(11)13-10-12/h1-2H
InChIKeyUSUIRSDYUHFDSP-UHFFFAOYSA-N
XLogP2.23
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 nitroso 3,5-dichloropyridine-4-carboxylate?
The IUPAC name of nitroso 3,5-dichloropyridine-4-carboxylate (CID 175364088) is nitroso 3,5-dichloropyridine-4-carboxylate.
What is the SMILES notation for nitroso 3,5-dichloropyridine-4-carboxylate?
The canonical SMILES for nitroso 3,5-dichloropyridine-4-carboxylate is O=NOC(=O)c1c(Cl)cncc1Cl.
What is the InChIKey of nitroso 3,5-dichloropyridine-4-carboxylate?
The InChIKey is USUIRSDYUHFDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O3/c7-3-1-9-2-4(8)5(3)6(11)13-10-12/h1-2H.
What are the key properties of nitroso 3,5-dichloropyridine-4-carboxylate?
nitroso 3,5-dichloropyridine-4-carboxylate has a molecular weight of 221.00 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 3,5-dichloropyridine-4-carboxylate is sourced from PubChem (CID 175364088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).