4,6-dichloro-1H-pyrrolo[3,2-c]pyridine

C7H4Cl2N2 — CID 5358988

IUPAC4,6-dichloro-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]ccc2c(Cl)n1
InChIInChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKeyZTBYPLYMOIIANS-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.87
Rot. Bonds

About 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine

4,6-dichloro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 5358988) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1H-pyrrolo[3,2-c]pyridine
PubChem CID5358988
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name4,6-dichloro-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]ccc2c(Cl)n1
InChIInChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKeyZTBYPLYMOIIANS-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine (CID 5358988) is 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine is Clc1cc2[nH]ccc2c(Cl)n1.
What is the InChIKey of 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is ZTBYPLYMOIIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H.
What are the key properties of 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine?
4,6-dichloro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 187.03 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 5358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).