methyl 6-chloro-5-methoxypyridazine-3-carboxylate

C7H7ClN2O3 — CID 169452804

IUPACmethyl 6-chloro-5-methoxypyridazine-3-carboxylate
SMILESCOC(=O)c1cc(OC)c(Cl)nn1
InChIInChI=1S/C7H7ClN2O3/c1-12-5-3-4(7(11)13-2)9-10-6(5)8/h3H,1-2H3
InChIKeyJHSZUYXVQMKXKE-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.93
Rot. Bonds2

About methyl 6-chloro-5-methoxypyridazine-3-carboxylate

methyl 6-chloro-5-methoxypyridazine-3-carboxylate (PubChem CID 169452804) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is methyl 6-chloro-5-methoxypyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-methoxypyridazine-3-carboxylate
PubChem CID169452804
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Namemethyl 6-chloro-5-methoxypyridazine-3-carboxylate
SMILESCOC(=O)c1cc(OC)c(Cl)nn1
InChIInChI=1S/C7H7ClN2O3/c1-12-5-3-4(7(11)13-2)9-10-6(5)8/h3H,1-2H3
InChIKeyJHSZUYXVQMKXKE-UHFFFAOYSA-N
XLogP0.93
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloropyridazine-3-carboxylate
CID 131699995
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 5,6-dihydrofuro[2,3-c]pyridazine-3-carboxylate
CID 178200725
methyl 6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine-3-carboxylate
CID 101416291
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
CID 166869376
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-methoxypyridazine-3-carboxylate?
The IUPAC name of methyl 6-chloro-5-methoxypyridazine-3-carboxylate (CID 169452804) is methyl 6-chloro-5-methoxypyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-methoxypyridazine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-5-methoxypyridazine-3-carboxylate is COC(=O)c1cc(OC)c(Cl)nn1.
What is the InChIKey of methyl 6-chloro-5-methoxypyridazine-3-carboxylate?
The InChIKey is JHSZUYXVQMKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-12-5-3-4(7(11)13-2)9-10-6(5)8/h3H,1-2H3.
What are the key properties of methyl 6-chloro-5-methoxypyridazine-3-carboxylate?
methyl 6-chloro-5-methoxypyridazine-3-carboxylate has a molecular weight of 202.60 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-methoxypyridazine-3-carboxylate is sourced from PubChem (CID 169452804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).