3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine

C9H9BrN2 — CID 123135106

IUPAC3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1cc2c(Br)c[nH]c2c(C)n1
InChIInChI=1S/C9H9BrN2/c1-5-3-7-8(10)4-11-9(7)6(2)12-5/h3-4,11H,1-2H3
InChIKeyKLGMSNNHISAMSC-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.94
Rot. Bonds

About 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine

3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 123135106) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID123135106
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1cc2c(Br)c[nH]c2c(C)n1
InChIInChI=1S/C9H9BrN2/c1-5-3-7-8(10)4-11-9(7)6(2)12-5/h3-4,11H,1-2H3
InChIKeyKLGMSNNHISAMSC-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine (CID 123135106) is 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine is Cc1cc2c(Br)c[nH]c2c(C)n1.
What is the InChIKey of 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is KLGMSNNHISAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-5-3-7-8(10)4-11-9(7)6(2)12-5/h3-4,11H,1-2H3.
What are the key properties of 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine?
3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 225.09 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-dimethyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 123135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).