5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide

C9H5Cl2N3O2 — CID 115608607

IUPAC5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccc(Cl)o1
InChIInChI=1S/C9H5Cl2N3O2/c10-6-2-4-8(14-13-6)12-9(15)5-1-3-7(11)16-5/h1-4H,(H,12,14,15)
InChIKeyAGOSFLURSYHZIQ-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.63
Rot. Bonds2

About 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide

5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide (PubChem CID 115608607) has the molecular formula C9H5Cl2N3O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
PubChem CID115608607
Molecular FormulaC9H5Cl2N3O2
Molecular Weight258.06 g/mol
Exact Mass256.98
IUPAC Name5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccc(Cl)o1
InChIInChI=1S/C9H5Cl2N3O2/c10-6-2-4-8(14-13-6)12-9(15)5-1-3-7(11)16-5/h1-4H,(H,12,14,15)
InChIKeyAGOSFLURSYHZIQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide (CID 115608607) is 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide is O=C(Nc1ccc(Cl)nn1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide?
The InChIKey is AGOSFLURSYHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O2/c10-6-2-4-8(14-13-6)12-9(15)5-1-3-7(11)16-5/h1-4H,(H,12,14,15).
What are the key properties of 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide?
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide has a molecular weight of 258.06 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 115608607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).