3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine

C15H11Br2FN2 — CID 141136090

IUPAC3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine
SMILESCc1c(Br)c2cc(Br)ncc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11Br2FN2/c1-9-15(17)12-6-14(16)19-7-13(12)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8H2,1H3
InChIKeyOWZMWSZBXMLLEC-UHFFFAOYSA-N
MW398.07 g/mol
LogP5.06
Rot. Bonds2

About 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine

3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine (PubChem CID 141136090) has the molecular formula C15H11Br2FN2 and a molecular weight of 398.07 g/mol. Its IUPAC name is 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine
PubChem CID141136090
Molecular FormulaC15H11Br2FN2
Molecular Weight398.07 g/mol
Exact Mass395.93
IUPAC Name3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine
SMILESCc1c(Br)c2cc(Br)ncc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11Br2FN2/c1-9-15(17)12-6-14(16)19-7-13(12)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8H2,1H3
InChIKeyOWZMWSZBXMLLEC-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.07
LogP ≤ 55.06
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-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075
5-chloro-1-[(4-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136099
2-(3-bromo-5-fluoro-2-methylindol-1-yl)acetonitrile
CID 67150846
5-bromo-1-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)-2-methylindole
CID 44560778
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
CID 3013459
1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 68701294
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
2-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]indol-5-ol
CID 155579659
[1-[(4-fluorophenyl)methyl]-2,3-dimethylindol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20940239
2-bromo-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 122521315
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 5311555
1-benzyl-5-bromo-2,3-dimethylindole
CID 25228820

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine (CID 141136090) is 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine is Cc1c(Br)c2cc(Br)ncc2n1Cc1ccc(F)cc1.
What is the InChIKey of 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine?
The InChIKey is OWZMWSZBXMLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FN2/c1-9-15(17)12-6-14(16)19-7-13(12)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine?
3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine has a molecular weight of 398.07 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(4-fluorophenyl)methyl]-2-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141136090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).