methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate

C15H8BrCl2NO3 — CID 118576869

IUPACmethyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)oc2nc(Cl)c(Br)cc12
InChIInChI=1S/C15H8BrCl2NO3/c1-21-15(20)11-9-6-10(16)13(18)19-14(9)22-12(11)7-2-4-8(17)5-3-7/h2-6H,1H3
InChIKeyJDLJVFXBEJBOLC-UHFFFAOYSA-N
MW401.04 g/mol
LogP5.35
Rot. Bonds2

About methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate

methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate (PubChem CID 118576869) has the molecular formula C15H8BrCl2NO3 and a molecular weight of 401.04 g/mol. Its IUPAC name is methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate
PubChem CID118576869
Molecular FormulaC15H8BrCl2NO3
Molecular Weight401.04 g/mol
Exact Mass398.91
IUPAC Namemethyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(Cl)cc2)oc2nc(Cl)c(Br)cc12
InChIInChI=1S/C15H8BrCl2NO3/c1-21-15(20)11-9-6-10(16)13(18)19-14(9)22-12(11)7-2-4-8(17)5-3-7/h2-6H,1H3
InChIKeyJDLJVFXBEJBOLC-UHFFFAOYSA-N
XLogP5.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.04
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-acetamido-5-iodo-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxylate
CID 66663635
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487345
4-[2-(4-fluorophenyl)-3-methoxycarbonylfuro[2,3-b]pyridin-5-yl]benzoic acid
CID 150534684
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 5-[chloro(difluoro)methyl]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 10358731
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate (CID 118576869) is methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(Cl)cc2)oc2nc(Cl)c(Br)cc12.
What is the InChIKey of methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate?
The InChIKey is JDLJVFXBEJBOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO3/c1-21-15(20)11-9-6-10(16)13(18)19-14(9)22-12(11)7-2-4-8(17)5-3-7/h2-6H,1H3.
What are the key properties of methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate?
methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate has a molecular weight of 401.04 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-chloro-2-(4-chlorophenyl)furo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 118576869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).