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

C11H12N2O2 — CID 84672243

IUPAC2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1[nH]c2ncccc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-6(2)9-8(11(14)15)7-4-3-5-12-10(7)13-9/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyHCEWWWXAQGWXSZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.38
Rot. Bonds2

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

2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84672243) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84672243
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC(C)c1[nH]c2ncccc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-6(2)9-8(11(14)15)7-4-3-5-12-10(7)13-9/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyHCEWWWXAQGWXSZ-UHFFFAOYSA-N
XLogP2.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488
2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide
CID 175557195
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84693470
1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 95857721
2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid
CID 154634602
3-[(Z)-3-nitrosobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-ol
CID 137300610
acetyl 2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 150448759
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
CID 172571034
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 84681730

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84672243) is 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is CC(C)c1[nH]c2ncccc2c1C(=O)O.
What is the InChIKey of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is HCEWWWXAQGWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6(2)9-8(11(14)15)7-4-3-5-12-10(7)13-9/h3-6H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84672243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).