3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid

C9H9ClN2O2 — CID 96612804

IUPAC3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nc2c(c(C(=O)O)c1Cl)CNC2
InChIInChI=1S/C9H9ClN2O2/c1-4-8(10)7(9(13)14)5-2-11-3-6(5)12-4/h11H,2-3H2,1H3,(H,13,14)
InChIKeyNMNCRLRSWFKFGB-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.34
Rot. Bonds1

About 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid

3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 96612804) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID96612804
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1nc2c(c(C(=O)O)c1Cl)CNC2
InChIInChI=1S/C9H9ClN2O2/c1-4-8(10)7(9(13)14)5-2-11-3-6(5)12-4/h11H,2-3H2,1H3,(H,13,14)
InChIKeyNMNCRLRSWFKFGB-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid (CID 96612804) is 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid is Cc1nc2c(c(C(=O)O)c1Cl)CNC2.
What is the InChIKey of 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is NMNCRLRSWFKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-4-8(10)7(9(13)14)5-2-11-3-6(5)12-4/h11H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid?
3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 212.64 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 96612804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).