6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C12H6Cl3N5O — CID 59624781

IUPAC6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12
InChIInChI=1S/C12H6Cl3N5O/c13-7-4-10(15)19-20-8(5-17-11(7)20)12(21)18-6-1-2-16-9(14)3-6/h1-5H,(H,16,18,21)
InChIKeyDSDBTJLBWBNNNK-UHFFFAOYSA-N
MW342.57 g/mol
LogP3.34
Rot. Bonds2

About 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624781) has the molecular formula C12H6Cl3N5O and a molecular weight of 342.57 g/mol. Its IUPAC name is 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624781
Molecular FormulaC12H6Cl3N5O
Molecular Weight342.57 g/mol
Exact Mass340.96
IUPAC Name6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12
InChIInChI=1S/C12H6Cl3N5O/c13-7-4-10(15)19-20-8(5-17-11(7)20)12(21)18-6-1-2-16-9(14)3-6/h1-5H,(H,16,18,21)
InChIKeyDSDBTJLBWBNNNK-UHFFFAOYSA-N
XLogP3.34
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624781) is 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12.
What is the InChIKey of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DSDBTJLBWBNNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N5O/c13-7-4-10(15)19-20-8(5-17-11(7)20)12(21)18-6-1-2-16-9(14)3-6/h1-5H,(H,16,18,21).
What are the key properties of 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 342.57 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).