5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C10H10BrClN2 — CID 142456969

IUPAC5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C/C1=CC2=C(Cl)C(Br)=CNC2N1
InChIInChI=1S/C10H10BrClN2/c1-2-3-6-4-7-9(12)8(11)5-13-10(7)14-6/h2-5,10,13-14H,1H3/b3-2+
InChIKeyMRZZNSCARPNCJF-NSCUHMNNSA-N
MW273.56 g/mol
LogP2.71
Rot. Bonds1

About 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142456969) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID142456969
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC/C=C/C1=CC2=C(Cl)C(Br)=CNC2N1
InChIInChI=1S/C10H10BrClN2/c1-2-3-6-4-7-9(12)8(11)5-13-10(7)14-6/h2-5,10,13-14H,1H3/b3-2+
InChIKeyMRZZNSCARPNCJF-NSCUHMNNSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 142456969) is 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is C/C=C/C1=CC2=C(Cl)C(Br)=CNC2N1.
What is the InChIKey of 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MRZZNSCARPNCJF-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-2-3-6-4-7-9(12)8(11)5-13-10(7)14-6/h2-5,10,13-14H,1H3/b3-2+.
What are the key properties of 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 273.56 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(E)-prop-1-enyl]-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142456969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).