methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate

C13H10ClN3O3 — CID 61041834

IUPACmethyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-4-9(5-3-8)15-12(18)10-6-7-11(14)17-16-10/h2-7H,1H3,(H,15,18)
InChIKeyWFHLOMNWPNVDPW-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.17
Rot. Bonds3

About methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate

methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate (PubChem CID 61041834) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
PubChem CID61041834
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Namemethyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-4-9(5-3-8)15-12(18)10-6-7-11(14)17-16-10/h2-7H,1H3,(H,15,18)
InChIKeyWFHLOMNWPNVDPW-UHFFFAOYSA-N
XLogP2.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
6-chloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 61237341
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775
6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 60859843

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate (CID 61041834) is methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)cc1.
What is the InChIKey of methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate?
The InChIKey is WFHLOMNWPNVDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-20-13(19)8-2-4-9(5-3-8)15-12(18)10-6-7-11(14)17-16-10/h2-7H,1H3,(H,15,18).
What are the key properties of methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate?
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate has a molecular weight of 291.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 61041834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).