3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine

C8H6BrClN2 — CID 130980903

IUPAC3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2c(Cl)ccnc21
InChIInChI=1S/C8H6BrClN2/c1-12-4-5(9)7-6(10)2-3-11-8(7)12/h2-4H,1H3
InChIKeyHMSABIHWTSDRJF-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.99
Rot. Bonds

About 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine

3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 130980903) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine
PubChem CID130980903
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(Br)c2c(Cl)ccnc21
InChIInChI=1S/C8H6BrClN2/c1-12-4-5(9)7-6(10)2-3-11-8(7)12/h2-4H,1H3
InChIKeyHMSABIHWTSDRJF-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine (CID 130980903) is 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(Br)c2c(Cl)ccnc21.
What is the InChIKey of 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is HMSABIHWTSDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-12-4-5(9)7-6(10)2-3-11-8(7)12/h2-4H,1H3.
What are the key properties of 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine?
3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 245.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130980903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).