methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate

C14H11NO3 — CID 121367808

IUPACmethyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)oc1c(C)nccc12
InChIInChI=1S/C14H11NO3/c1-8-13-11(5-6-15-8)10-4-3-9(14(16)17-2)7-12(10)18-13/h3-7H,1-2H3
InChIKeyPWEBNTAGKWTIDK-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.08
Rot. Bonds1

About methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate

methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate (PubChem CID 121367808) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate
PubChem CID121367808
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namemethyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)oc1c(C)nccc12
InChIInChI=1S/C14H11NO3/c1-8-13-11(5-6-15-8)10-4-3-9(14(16)17-2)7-12(10)18-13/h3-7H,1-2H3
InChIKeyPWEBNTAGKWTIDK-UHFFFAOYSA-N
XLogP3.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-1,2-benzoxazole-6-carboxylate
CID 22610095
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 1-bromoisoquinoline-6-carboxylate
CID 82571453
methyl 4-fluoro-1,3-dimethylisoquinoline-7-carboxylate
CID 67961184
methyl dibenzofuran-2-carboxylate
CID 3702628
methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
CID 170744662
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl 4-furo[3,2-c]pyridin-4-yl-3-hydroxybenzoate
CID 162519514
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
6-O-tert-butyl 2-O-methyl 3-(2-oxopropoxy)-1-benzofuran-2,6-dicarboxylate
CID 169127354
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
CID 91466477
methyl 2-methylpyridine-3-carboxylate
CID 7015327

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate (CID 121367808) is methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate is COC(=O)c1ccc2c(c1)oc1c(C)nccc12.
What is the InChIKey of methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate?
The InChIKey is PWEBNTAGKWTIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-13-11(5-6-15-8)10-4-3-9(14(16)17-2)7-12(10)18-13/h3-7H,1-2H3.
What are the key properties of methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate?
methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121367808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).