3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C12H12N2O2 — CID 84681730

IUPAC3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ncccc2c1C1CCC1
InChIInChI=1S/C12H12N2O2/c15-12(16)10-9(7-3-1-4-7)8-5-2-6-13-11(8)14-10/h2,5-7H,1,3-4H2,(H,13,14)(H,15,16)
InChIKeyWYYZSUXCCGSIHV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.53
Rot. Bonds2

About 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 84681730) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID84681730
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ncccc2c1C1CCC1
InChIInChI=1S/C12H12N2O2/c15-12(16)10-9(7-3-1-4-7)8-5-2-6-13-11(8)14-10/h2,5-7H,1,3-4H2,(H,13,14)(H,15,16)
InChIKeyWYYZSUXCCGSIHV-UHFFFAOYSA-N
XLogP2.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84693470
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84680375
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
3-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 159053645
3-(4-chlorophenyl)sulfanyl-N-cyclohexyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54592070
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
2-(4-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-5-yl)ethanone
CID 139838453
2-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391820
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
1-[(3R)-3-[3-[[benzyl(methyl)amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propan-1-one
CID 92585194
2,6-dicyclohexyl-5-methoxycarbonyl-4-thieno[2,3-b]pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid
CID 175487474

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 84681730) is 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1[nH]c2ncccc2c1C1CCC1.
What is the InChIKey of 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is WYYZSUXCCGSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)10-9(7-3-1-4-7)8-5-2-6-13-11(8)14-10/h2,5-7H,1,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84681730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).