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

C7H6Cl2N2 — CID 71443157

IUPAC4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(Cl)c2c(n1)NCC2
InChIInChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h3H,1-2H2,(H,10,11)
InChIKeyRCSKSCCAAVNBAP-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.36
Rot. Bonds

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

4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71443157) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID71443157
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cc(Cl)c2c(n1)NCC2
InChIInChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h3H,1-2H2,(H,10,11)
InChIKeyRCSKSCCAAVNBAP-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 71443157) is 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is Clc1cc(Cl)c2c(n1)NCC2.
What is the InChIKey of 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RCSKSCCAAVNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h3H,1-2H2,(H,10,11).
What are the key properties of 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 189.05 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71443157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).