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

C14H7BrF2N2O2 — CID 58086673

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,20H,(H,18,19)
InChIKeyFGCCENPYUMNPSP-UHFFFAOYSA-N
MW353.12 g/mol
LogP3.54
Rot. Bonds2

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 58086673) has the molecular formula C14H7BrF2N2O2 and a molecular weight of 353.12 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID58086673
Molecular FormulaC14H7BrF2N2O2
Molecular Weight353.12 g/mol
Exact Mass351.97
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,20H,(H,18,19)
InChIKeyFGCCENPYUMNPSP-UHFFFAOYSA-N
XLogP3.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.12
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 58086773
(3-amino-2-ethyl-6-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 162741571
N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-2,2,2-trifluoroethanesulfonamide
CID 86665130
5-bromo-3-[2,6-difluoro-3-[[methyl(propan-2-yl)sulfinamoyl]amino]benzoyl]-1H-pyrrolo[2,3-b]pyridine
CID 162742078
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
(3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 159549230
(2,6-difluoro-3-methylphenyl)-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384890
(2,6-difluoro-3-methylphenyl)-(5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 91297376
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
(3-amino-2,6-difluorophenyl)-(5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59569607

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 58086673) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone is O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is FGCCENPYUMNPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,20H,(H,18,19).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 353.12 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 58086673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).