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

C10H10N2O2 — CID 71721167

IUPACmethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(C)ccnc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-6-3-4-11-9-7(6)5-8(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyMORUICYTOYJQIQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds1

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

methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 71721167) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID71721167
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(C)ccnc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-6-3-4-11-9-7(6)5-8(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyMORUICYTOYJQIQ-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 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517663
methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 133061748
2-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 146298865
4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 163752481
2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-oxoacetic acid
CID 10214498
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 7-methyl-4-propan-2-yl-1H-indole-2-carboxylate
CID 54101647
methyl 4-[5-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 147012999
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 10-methyl-8-oxa-6,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,12,15-heptaene-13-carboxylate
CID 167785131
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 2,4-dimethylpyridine-3-carboxylate;hydrochloride
CID 167762348

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 71721167) is methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(C)ccnc2[nH]1.
What is the InChIKey of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is MORUICYTOYJQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-4-11-9-7(6)5-8(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-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 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 71721167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).