methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride

C10H13ClN2O2 — CID 155970255

IUPACmethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2c(c1C)CCN2.Cl
InChIInChI=1S/C10H12N2O2.ClH/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2;/h5H,3-4H2,1-2H3,(H,11,12);1H
InChIKeyFLFSMBZGRSGIJX-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.57
Rot. Bonds1

About methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride

methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride (PubChem CID 155970255) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
PubChem CID155970255
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Namemethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc2c(c1C)CCN2.Cl
InChIInChI=1S/C10H12N2O2.ClH/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2;/h5H,3-4H2,1-2H3,(H,11,12);1H
InChIKeyFLFSMBZGRSGIJX-UHFFFAOYSA-N
XLogP1.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride (CID 155970255) is methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride is COC(=O)c1cnc2c(c1C)CCN2.Cl.
What is the InChIKey of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride?
The InChIKey is FLFSMBZGRSGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2;/h5H,3-4H2,1-2H3,(H,11,12);1H.
What are the key properties of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride?
methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 155970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).