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

C10H10N2O2 — CID 74890548

IUPACmethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2nccc(C)c12
InChIInChI=1S/C10H10N2O2/c1-6-3-4-11-9-8(6)7(5-12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyCAIWBYMQIDKJRA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds1

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

methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 74890548) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID74890548
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2nccc(C)c12
InChIInChI=1S/C10H10N2O2/c1-6-3-4-11-9-8(6)7(5-12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyCAIWBYMQIDKJRA-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CID 74890548) is methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c[nH]c2nccc(C)c12.
What is the InChIKey of methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is CAIWBYMQIDKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-4-11-9-8(6)7(5-12-9)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-3-carboxylate?
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-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-3-carboxylate is sourced from PubChem (CID 74890548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).