methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

C10H10N2O2 — CID 124705864

IUPACmethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2[nH]cc(C)c12
InChIInChI=1S/C10H10N2O2/c1-6-5-12-9-8(6)7(3-4-11-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeySYOQVAIFYBSUHY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds1

About methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate

methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 124705864) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID124705864
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc2[nH]cc(C)c12
InChIInChI=1S/C10H10N2O2/c1-6-5-12-9-8(6)7(3-4-11-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeySYOQVAIFYBSUHY-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
methyl 4-formyl-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 88535216
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate (CID 124705864) is methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate is COC(=O)c1ccnc2[nH]cc(C)c12.
What is the InChIKey of methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is SYOQVAIFYBSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-5-12-9-8(6)7(3-4-11-9)10(13)14-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 124705864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).