1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C11H11Cl2N3O3 — CID 63720662

IUPAC1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(Cl)nnc2Cl)CC1C(=O)O
InChIInChI=1S/C11H11Cl2N3O3/c1-5-3-16(4-7(5)11(18)19)10(17)6-2-8(12)14-15-9(6)13/h2,5,7H,3-4H2,1H3,(H,18,19)
InChIKeyMGTNBUCQCVDCRV-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.58
Rot. Bonds2

About 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720662) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720662
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC Name1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(Cl)nnc2Cl)CC1C(=O)O
InChIInChI=1S/C11H11Cl2N3O3/c1-5-3-16(4-7(5)11(18)19)10(17)6-2-8(12)14-15-9(6)13/h2,5,7H,3-4H2,1H3,(H,18,19)
InChIKeyMGTNBUCQCVDCRV-UHFFFAOYSA-N
XLogP1.58
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-1-(5-bromo-2-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085436
(3S,4S)-1-(2,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085408
1-(2-chloro-5-methylsulfanylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720312
(3,6-dichloropyridazin-4-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 131053206
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
1-(4-amino-3,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82832872
(3S,4S)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952825
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(3S,4S)-1-(2-chloro-4,5-dimethylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984109
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654
1-(3,6-dichloropyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356897

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63720662) is 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)c2cc(Cl)nnc2Cl)CC1C(=O)O.
What is the InChIKey of 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MGTNBUCQCVDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c1-5-3-16(4-7(5)11(18)19)10(17)6-2-8(12)14-15-9(6)13/h2,5,7H,3-4H2,1H3,(H,18,19).
What are the key properties of 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 304.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).