6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C9H7ClN2O3 — CID 164549036

IUPAC6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1nc2cc(C(=O)O)[nH]c2cc1Cl
InChIInChI=1S/C9H7ClN2O3/c1-15-8-4(10)2-5-6(12-8)3-7(11-5)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyROMBWYMGTRYHSX-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.92
Rot. Bonds2

About 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 164549036) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID164549036
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1nc2cc(C(=O)O)[nH]c2cc1Cl
InChIInChI=1S/C9H7ClN2O3/c1-15-8-4(10)2-5-6(12-8)3-7(11-5)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyROMBWYMGTRYHSX-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 164549036) is 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is COc1nc2cc(C(=O)O)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is ROMBWYMGTRYHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c1-15-8-4(10)2-5-6(12-8)3-7(11-5)9(13)14/h2-3,11H,1H3,(H,13,14).
What are the key properties of 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 226.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 164549036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).