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

C11H12N2O2 — CID 105456006

IUPAC6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)c1cnc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-6(2)7-3-9-8(12-5-7)4-10(13-9)11(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyKWOPAENCFQSGIE-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.38
Rot. Bonds2

About 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 105456006) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID105456006
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCC(C)c1cnc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-6(2)7-3-9-8(12-5-7)4-10(13-9)11(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyKWOPAENCFQSGIE-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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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 105456006) is 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is CC(C)c1cnc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is KWOPAENCFQSGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6(2)7-3-9-8(12-5-7)4-10(13-9)11(14)15/h3-6,13H,1-2H3,(H,14,15).
What are the key properties of 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-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 6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 105456006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).