(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone

C15H10BrFN2O — CID 58087583

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFN2O/c1-8-2-3-10(17)5-11(8)14(20)13-7-19-15-12(13)4-9(16)6-18-15/h2-7H,1H3,(H,18,19)
InChIKeyYXBYALXJHVTJHP-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.00
Rot. Bonds2

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 58087583) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID58087583
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H10BrFN2O/c1-8-2-3-10(17)5-11(8)14(20)13-7-19-15-12(13)4-9(16)6-18-15/h2-7H,1H3,(H,18,19)
InChIKeyYXBYALXJHVTJHP-UHFFFAOYSA-N
XLogP4.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone (CID 58087583) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is YXBYALXJHVTJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-8-2-3-10(17)5-11(8)14(20)13-7-19-15-12(13)4-9(16)6-18-15/h2-7H,1H3,(H,18,19).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 333.16 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 58087583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).