N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H8BrN3O2 — CID 945194

IUPACN-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8BrN3O2/c12-7-2-1-3-8(6-7)13-11(17)9-4-5-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyIYEBZRCYIUKTIB-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.78
Rot. Bonds2

About N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 945194) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID945194
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC NameN-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8BrN3O2/c12-7-2-1-3-8(6-7)13-11(17)9-4-5-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyIYEBZRCYIUKTIB-UHFFFAOYSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 945194) is N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cccc(Br)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is IYEBZRCYIUKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-7-2-1-3-8(6-7)13-11(17)9-4-5-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16).
What are the key properties of N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 945194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).