(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone

C14H6BrF3N2O — CID 106884906

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H6BrF3N2O/c15-6-1-8-9(5-20-14(8)19-4-6)13(21)12-10(17)2-7(16)3-11(12)18/h1-5H,(H,19,20)
InChIKeySBJRYNHSBVFJSO-UHFFFAOYSA-N
MW355.11 g/mol
LogP3.97
Rot. Bonds2

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 106884906) has the molecular formula C14H6BrF3N2O and a molecular weight of 355.11 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID106884906
Molecular FormulaC14H6BrF3N2O
Molecular Weight355.11 g/mol
Exact Mass353.96
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H6BrF3N2O/c15-6-1-8-9(5-20-14(8)19-4-6)13(21)12-10(17)2-7(16)3-11(12)18/h1-5H,(H,19,20)
InChIKeySBJRYNHSBVFJSO-UHFFFAOYSA-N
XLogP3.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.11
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 58086673
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 58086773
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
(3-amino-2-ethyl-6-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 162741571
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-2,2,2-trifluoroethanesulfonamide
CID 86665130
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
5-bromo-3-[2,6-difluoro-3-[[methyl(propan-2-yl)sulfinamoyl]amino]benzoyl]-1H-pyrrolo[2,3-b]pyridine
CID 162742078

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone (CID 106884906) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is SBJRYNHSBVFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF3N2O/c15-6-1-8-9(5-20-14(8)19-4-6)13(21)12-10(17)2-7(16)3-11(12)18/h1-5H,(H,19,20).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 355.11 g/mol, XLogP of 3.97, 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)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 106884906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).