7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine

C8H6BrFN2 — CID 143151628

IUPAC7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1ccc2c(F)ncc(Br)c21
InChIInChI=1S/C8H6BrFN2/c1-12-3-2-5-7(12)6(9)4-11-8(5)10/h2-4H,1H3
InChIKeyCXNRTQTYHGPTLX-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine

7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine (PubChem CID 143151628) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
PubChem CID143151628
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
SMILESCn1ccc2c(F)ncc(Br)c21
InChIInChI=1S/C8H6BrFN2/c1-12-3-2-5-7(12)6(9)4-11-8(5)10/h2-4H,1H3
InChIKeyCXNRTQTYHGPTLX-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.47
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

5-bromo-4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 105486140
4-bromo-7-methylpyrrolo[2,3-c]pyridazine
CID 105465688
1,4,7-trimethylpyrrolo[2,3-c]pyridine
CID 153487597
6,7-dibromo-4-iodo-1-methylindole
CID 125495238
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
6-bromo-1-methylindol-7-amine
CID 117110630
4,6-difluoro-1,7-dimethylindole
CID 129149035
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
5-bromo-8-fluoro-2-methylisoquinolin-1-one
CID 119081606
4-bromo-7-fluoro-1-methylindazole
CID 118080283
2-(2-bromo-4-fluorophenyl)-1-methylimidazole
CID 141359044
1,4,6,7-tetramethylpyrrolo[3,2-c]pyridine
CID 58663499

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine?
The IUPAC name of 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine (CID 143151628) is 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine is Cn1ccc2c(F)ncc(Br)c21.
What is the InChIKey of 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine?
The InChIKey is CXNRTQTYHGPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-3-2-5-7(12)6(9)4-11-8(5)10/h2-4H,1H3.
What are the key properties of 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine?
7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine has a molecular weight of 229.05 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 143151628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).