2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate

C13H16N2O2 — CID 175615250

IUPAC2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCC(C)COC(=O)c1cn(C)c2ncccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-17-13(16)11-7-15(3)12-10(11)5-4-6-14-12/h4-7,9H,8H2,1-3H3
InChIKeyFRRBOZVFVIIUQJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.39
Rot. Bonds3

About 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate

2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 175615250) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID175615250
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCC(C)COC(=O)c1cn(C)c2ncccc12
InChIInChI=1S/C13H16N2O2/c1-9(2)8-17-13(16)11-7-15(3)12-10(11)5-4-6-14-12/h4-7,9H,8H2,1-3H3
InChIKeyFRRBOZVFVIIUQJ-UHFFFAOYSA-N
XLogP2.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 96855329
2-amino-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 82656231
tetrakis(2-methylpropyl) perylene-3,4,9,10-tetracarboxylate
CID 123503031
benzyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 15866758
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate (CID 175615250) is 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate is CC(C)COC(=O)c1cn(C)c2ncccc12.
What is the InChIKey of 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is FRRBOZVFVIIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)8-17-13(16)11-7-15(3)12-10(11)5-4-6-14-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 175615250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).