3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine

C8H6BrClN2 — CID 11160927

IUPAC3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2nccc(Cl)c2c1Br
InChIInChI=1S/C8H6BrClN2/c1-4-7(9)6-5(10)2-3-11-8(6)12-4/h2-3H,1H3,(H,11,12)
InChIKeyJEDPKFGSMXFNNH-UHFFFAOYSA-N
MW245.51 g/mol
LogP3.29
Rot. Bonds

About 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine

3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11160927) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID11160927
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2nccc(Cl)c2c1Br
InChIInChI=1S/C8H6BrClN2/c1-4-7(9)6-5(10)2-3-11-8(6)12-4/h2-3H,1H3,(H,11,12)
InChIKeyJEDPKFGSMXFNNH-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 11160927) is 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c2nccc(Cl)c2c1Br.
What is the InChIKey of 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JEDPKFGSMXFNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-4-7(9)6-5(10)2-3-11-8(6)12-4/h2-3H,1H3,(H,11,12).
What are the key properties of 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 245.51 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11160927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).