methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride

C9H11ClN2O2 — CID 154730187

IUPACmethyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(n1)NCC2.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-3-2-6-4-5-10-8(6)11-7;/h2-3H,4-5H2,1H3,(H,10,11);1H
InChIKeyMVIHHVWYLZIYLF-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.26
Rot. Bonds1

About methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride

methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride (PubChem CID 154730187) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride
PubChem CID154730187
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(n1)NCC2.Cl
InChIInChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-3-2-6-4-5-10-8(6)11-7;/h2-3H,4-5H2,1H3,(H,10,11);1H
InChIKeyMVIHHVWYLZIYLF-UHFFFAOYSA-N
XLogP1.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride (CID 154730187) is methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride is COC(=O)c1ccc2c(n1)NCC2.Cl.
What is the InChIKey of methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride?
The InChIKey is MVIHHVWYLZIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-3-2-6-4-5-10-8(6)11-7;/h2-3H,4-5H2,1H3,(H,10,11);1H.
What are the key properties of methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride?
methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 154730187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).