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

C9H8N2O2 — CID 46318177

IUPAC5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C9H8N2O2/c1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyMHTZMYMOQLUMHK-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.57
Rot. Bonds1

About 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 46318177) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID46318177
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C9H8N2O2/c1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyMHTZMYMOQLUMHK-UHFFFAOYSA-N
XLogP1.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 46318177) is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is Cc1cnc2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is MHTZMYMOQLUMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 46318177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).