(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone

C14H8BrFN2O — CID 106884818

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H8BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-1-3-10(16)4-2-8/h1-7H,(H,17,18)
InChIKeyKBCJWASSSOABAS-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.70
Rot. Bonds2

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone (PubChem CID 106884818) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone
PubChem CID106884818
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H8BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-1-3-10(16)4-2-8/h1-7H,(H,17,18)
InChIKeyKBCJWASSSOABAS-UHFFFAOYSA-N
XLogP3.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.70
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)-(4-fluorophenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone (CID 106884818) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is KBCJWASSSOABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-1-3-10(16)4-2-8/h1-7H,(H,17,18).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 319.13 g/mol, XLogP of 3.70, 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)-(4-fluorophenyl)methanone is sourced from PubChem (CID 106884818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).