methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate

C8H5ClN2O4 — CID 147079321

IUPACmethyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate
SMILESCOC(=O)c1oc2cc(Cl)nnc2c1O
InChIInChI=1S/C8H5ClN2O4/c1-14-8(13)7-6(12)5-3(15-7)2-4(9)10-11-5/h2,12H,1H3
InChIKeyBGPCTTLUXQJQFH-UHFFFAOYSA-N
MW228.59 g/mol
LogP1.37
Rot. Bonds1

About methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate

methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate (PubChem CID 147079321) has the molecular formula C8H5ClN2O4 and a molecular weight of 228.59 g/mol. Its IUPAC name is methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate
PubChem CID147079321
Molecular FormulaC8H5ClN2O4
Molecular Weight228.59 g/mol
Exact Mass227.99
IUPAC Namemethyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate
SMILESCOC(=O)c1oc2cc(Cl)nnc2c1O
InChIInChI=1S/C8H5ClN2O4/c1-14-8(13)7-6(12)5-3(15-7)2-4(9)10-11-5/h2,12H,1H3
InChIKeyBGPCTTLUXQJQFH-UHFFFAOYSA-N
XLogP1.37
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.59
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate
CID 54717212
methyl 4-chloro-1,3-oxazole-5-carboxylate
CID 131699557
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751
2,4-dihydroxy-5-methoxycarbonylfuran-3-carboxylic acid
CID 174736301
dimethyl 2-(3,4-dichlorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953675
methyl 7,8-dihydroxy-3-methyl-1-oxopyrano[4,3-b][1]benzofuran-9-carboxylate
CID 25066754
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
CID 12564369
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
methyl 5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15598743
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate?
The IUPAC name of methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate (CID 147079321) is methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate?
The canonical SMILES for methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate is COC(=O)c1oc2cc(Cl)nnc2c1O.
What is the InChIKey of methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate?
The InChIKey is BGPCTTLUXQJQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O4/c1-14-8(13)7-6(12)5-3(15-7)2-4(9)10-11-5/h2,12H,1H3.
What are the key properties of methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate?
methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate has a molecular weight of 228.59 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate is sourced from PubChem (CID 147079321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).