4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C9H8N2O2 — CID 69027498

IUPAC4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1nccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C9H8N2O2/c1-5-6-4-8(9(12)13)11-7(6)2-3-10-5/h2-4,11H,1H3,(H,12,13)
InChIKeyZKHKQINFNFVIMY-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.57
Rot. Bonds1

About 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 69027498) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID69027498
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1nccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C9H8N2O2/c1-5-6-4-8(9(12)13)11-7(6)2-3-10-5/h2-4,11H,1H3,(H,12,13)
InChIKeyZKHKQINFNFVIMY-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 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 69027498) is 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is Cc1nccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is ZKHKQINFNFVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-6-4-8(9(12)13)11-7(6)2-3-10-5/h2-4,11H,1H3,(H,12,13).
What are the key properties of 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-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 4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 69027498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).