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

C9H8N2O2 — CID 130047563

IUPAC2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)nccc2[nH]1
InChIInChI=1S/C9H8N2O2/c1-5-4-6-7(11-5)2-3-10-8(6)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyQTUURMZCINSMFQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.57
Rot. Bonds1

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

2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid (PubChem CID 130047563) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
PubChem CID130047563
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)nccc2[nH]1
InChIInChI=1S/C9H8N2O2/c1-5-4-6-7(11-5)2-3-10-8(6)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyQTUURMZCINSMFQ-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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Related Compounds

2-iodo-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 123135043
2-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 82410975
4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
CID 53412838
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 167724244
4-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 82612258
5-bromo-7-methylisoquinoline-1-carboxylic acid
CID 82572033
7-chloro-5-methylisoquinoline-1-carboxylic acid
CID 125426657
acetic acid;5-chloro-2-methyl-1H-indol-4-amine
CID 174486240
1-methylfuro[3,4-c]pyridine-4-carboxylic acid
CID 82410647
1-methylpyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 137347030
4-amino-2-methyl-1H-indol-5-ol
CID 82415321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid (CID 130047563) is 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid is Cc1cc2c(C(=O)O)nccc2[nH]1.
What is the InChIKey of 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is QTUURMZCINSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-4-6-7(11-5)2-3-10-8(6)9(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid?
2-methyl-1H-pyrrolo[3,2-c]pyridine-4-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 2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 130047563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).