(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone

C9H7Cl2N3O — CID 131053206

IUPAC(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc(Cl)nnc1Cl)N1CC=CC1
InChIInChI=1S/C9H7Cl2N3O/c10-7-5-6(8(11)13-12-7)9(15)14-3-1-2-4-14/h1-2,5H,3-4H2
InChIKeySALDKAOLHUYXHE-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.80
Rot. Bonds1

About (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone

(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 131053206) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID131053206
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc(Cl)nnc1Cl)N1CC=CC1
InChIInChI=1S/C9H7Cl2N3O/c10-7-5-6(8(11)13-12-7)9(15)14-3-1-2-4-14/h1-2,5H,3-4H2
InChIKeySALDKAOLHUYXHE-UHFFFAOYSA-N
XLogP1.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720662
2-[1-(3,6-dichloropyridazine-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657196
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433030
1-(3,6-dichloropyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356897
(3,6-dichloropyridazin-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086775
(6-bromo-4-chloroquinazolin-7-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 87626349
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
(6-chloropyridazin-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408589
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
(2-chloro-5-nitro-4-pyridinyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 113356775

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone (CID 131053206) is (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone is O=C(c1cc(Cl)nnc1Cl)N1CC=CC1.
What is the InChIKey of (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is SALDKAOLHUYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-7-5-6(8(11)13-12-7)9(15)14-3-1-2-4-14/h1-2,5H,3-4H2.
What are the key properties of (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone?
(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 244.08 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 131053206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).