methyl 5-chloropyridazine-3-carboxylate

C6H5ClN2O2 — CID 131699995

IUPACmethyl 5-chloropyridazine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnn1
InChIInChI=1S/C6H5ClN2O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3
InChIKeyGSBAQCWRCFSUHE-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.92
Rot. Bonds1

About methyl 5-chloropyridazine-3-carboxylate

methyl 5-chloropyridazine-3-carboxylate (PubChem CID 131699995) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is methyl 5-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloropyridazine-3-carboxylate
PubChem CID131699995
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Namemethyl 5-chloropyridazine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnn1
InChIInChI=1S/C6H5ClN2O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3
InChIKeyGSBAQCWRCFSUHE-UHFFFAOYSA-N
XLogP0.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
1-(5-chloropyridazin-3-yl)-3-methoxyurea
CID 131041912
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
methyl 3-amino-1,2,4-triazine-5-carboxylate
CID 105430024
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate
CID 171758422
(5-chloropyridazin-3-yl)carbamic acid
CID 89288358
methyl 4-chloro-5-nitropyridine-2-carboxylate
CID 130849623
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloropyridazine-3-carboxylate?
The IUPAC name of methyl 5-chloropyridazine-3-carboxylate (CID 131699995) is methyl 5-chloropyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-chloropyridazine-3-carboxylate?
The canonical SMILES for methyl 5-chloropyridazine-3-carboxylate is COC(=O)c1cc(Cl)cnn1.
What is the InChIKey of methyl 5-chloropyridazine-3-carboxylate?
The InChIKey is GSBAQCWRCFSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3.
What are the key properties of methyl 5-chloropyridazine-3-carboxylate?
methyl 5-chloropyridazine-3-carboxylate has a molecular weight of 172.57 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloropyridazine-3-carboxylate is sourced from PubChem (CID 131699995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).