2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine

C8H6BrClN2 — CID 84705243

IUPAC2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1c(Br)cc2ccnc(Cl)c21
InChIInChI=1S/C8H6BrClN2/c1-12-6(9)4-5-2-3-11-8(10)7(5)12/h2-4H,1H3
InChIKeyOJBYBZWTEHXHIW-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.99
Rot. Bonds

About 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine

2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 84705243) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
PubChem CID84705243
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1c(Br)cc2ccnc(Cl)c21
InChIInChI=1S/C8H6BrClN2/c1-12-6(9)4-5-2-3-11-8(10)7(5)12/h2-4H,1H3
InChIKeyOJBYBZWTEHXHIW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476014
N-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166475878
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
CID 115040554
4-[[(8-chloro-1-methyl-2-oxo-1,7-naphthyridin-3-yl)methylamino]methyl]benzonitrile
CID 169147481
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde
CID 166475948
3-bromo-8-chloro-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
CID 123721507
8-bromo-1-chloro-6-fluoroisoquinoline
CID 154727299
6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 155686492
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476022
(3-bromo-2-chloro-4-pyridinyl)-trimethylsilane
CID 71419940
1-bromo-8-chloro-3-methylimidazo[1,5-a]pyrazine;ethane
CID 145329681
2,3,4-trichloro-1-methylpyrrolo[3,2-c]pyridine
CID 135080607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine (CID 84705243) is 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine is Cn1c(Br)cc2ccnc(Cl)c21.
What is the InChIKey of 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is OJBYBZWTEHXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-12-6(9)4-5-2-3-11-8(10)7(5)12/h2-4H,1H3.
What are the key properties of 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine?
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]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 2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 84705243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).