5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine

C8H6BrClN2 — CID 135283824

IUPAC5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine
SMILESCC1=CC2=C(Cl)C(Br)=NCC2=N1
InChIInChI=1S/C8H6BrClN2/c1-4-2-5-6(12-4)3-11-8(9)7(5)10/h2H,3H2,1H3
InChIKeyXQYYONRLVVPCTN-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.64
Rot. Bonds

About 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine

5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine (PubChem CID 135283824) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine
PubChem CID135283824
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine
SMILESCC1=CC2=C(Cl)C(Br)=NCC2=N1
InChIInChI=1S/C8H6BrClN2/c1-4-2-5-6(12-4)3-11-8(9)7(5)10/h2H,3H2,1H3
InChIKeyXQYYONRLVVPCTN-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 57022641
CID 57022641
CID 90891844
CID 90891844
CID 135283818
CID 135283818

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine (CID 135283824) is 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine is CC1=CC2=C(Cl)C(Br)=NCC2=N1.
What is the InChIKey of 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine?
The InChIKey is XQYYONRLVVPCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-4-2-5-6(12-4)3-11-8(9)7(5)10/h2H,3H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine?
5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine has a molecular weight of 245.51 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 135283824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).