2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine

C54H57N9O3 — CID 159384779

IUPAC2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cc2cccnc2n1C.Cc1cc2ccncc2n1C.Cc1cc2cnccc2n1C.Cc1oc2ccncc2c1C.Cc1oc2cnccc2c1C.Cc1oc2ncccc2c1C
InChIInChI=1S/3C9H10N2.3C9H9NO/c1-7-5-8-6-10-4-3-9(8)11(7)2;1-7-5-8-3-4-10-6-9(8)11(7)2;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-7(2)11-9-3-4-10-5-8(6)9;1-6-7(2)11-9-5-10-4-3-8(6)9;1-6-7(2)11-9-8(6)4-3-5-10-9/h3*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyLLIYTBVIYOPQDC-UHFFFAOYSA-N
MW880.11 g/mol
LogP12.98
Rot. Bonds

About 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine

2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine (PubChem CID 159384779) has the molecular formula C54H57N9O3 and a molecular weight of 880.11 g/mol. Its IUPAC name is 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine
PubChem CID159384779
Molecular FormulaC54H57N9O3
Molecular Weight880.11 g/mol
Exact Mass879.46
IUPAC Name2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cc2cccnc2n1C.Cc1cc2ccncc2n1C.Cc1cc2cnccc2n1C.Cc1oc2ccncc2c1C.Cc1oc2cnccc2c1C.Cc1oc2ncccc2c1C
InChIInChI=1S/3C9H10N2.3C9H9NO/c1-7-5-8-6-10-4-3-9(8)11(7)2;1-7-5-8-3-4-10-6-9(8)11(7)2;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-7(2)11-9-3-4-10-5-8(6)9;1-6-7(2)11-9-5-10-4-3-8(6)9;1-6-7(2)11-9-8(6)4-3-5-10-9/h3*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyLLIYTBVIYOPQDC-UHFFFAOYSA-N
XLogP12.98
TPSA131.55 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

1,2-dimethylpyrrolo[2,3-c]pyridine
CID 21364057
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
1,2-dimethylindole;4-methylpyridine
CID 91261602
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
3-methyl-2-pyrimidin-4-ylfuro[2,3-c]pyridine
CID 71206428
8-carbazol-9-yl-[1]benzofuro[2,3-b]pyridine;6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
CID 144782335
8-[18-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952852
8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 164813193
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine (CID 159384779) is 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine is Cc1cc2cccnc2n1C.Cc1cc2ccncc2n1C.Cc1cc2cnccc2n1C.Cc1oc2ccncc2c1C.Cc1oc2cnccc2c1C.Cc1oc2ncccc2c1C.
What is the InChIKey of 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine?
The InChIKey is LLIYTBVIYOPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10N2.3C9H9NO/c1-7-5-8-6-10-4-3-9(8)11(7)2;1-7-5-8-3-4-10-6-9(8)11(7)2;1-7-6-8-4-3-5-10-9(8)11(7)2;1-6-7(2)11-9-3-4-10-5-8(6)9;1-6-7(2)11-9-5-10-4-3-8(6)9;1-6-7(2)11-9-8(6)4-3-5-10-9/h3*3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine?
2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine has a molecular weight of 880.11 g/mol, XLogP of 12.98, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuro[2,3-b]pyridine;2,3-dimethylfuro[2,3-c]pyridine;2,3-dimethylfuro[3,2-c]pyridine;1,2-dimethylpyrrolo[2,3-b]pyridine;1,2-dimethylpyrrolo[2,3-c]pyridine;1,2-dimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 159384779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).