5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

C8H4Cl2N2O2 — CID 53399605

IUPAC5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)nc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O2/c9-5-1-3-4(8(13)14)2-11-6(3)7(10)12-5/h1-2,11H,(H,13,14)
InChIKeyMIRVXHZGFGMQAA-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.57
Rot. Bonds1

About 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid

5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 53399605) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID53399605
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)nc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O2/c9-5-1-3-4(8(13)14)2-11-6(3)7(10)12-5/h1-2,11H,(H,13,14)
InChIKeyMIRVXHZGFGMQAA-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 53399605) is 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(Cl)nc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is MIRVXHZGFGMQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-5-1-3-4(8(13)14)2-11-6(3)7(10)12-5/h1-2,11H,(H,13,14).
What are the key properties of 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid?
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 231.04 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 53399605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).