2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile

C14H7BrFN3O — CID 137161509

IUPAC2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Br)c2c(O)[nH]cc2n1
InChIInChI=1S/C14H7BrFN3O/c15-8-4-10(19-11-6-18-14(20)13(8)11)12-7(5-17)2-1-3-9(12)16/h1-4,6,18,20H
InChIKeyUXYSATLBVLYLNH-UHFFFAOYSA-N
MW332.13 g/mol
LogP3.71
Rot. Bonds1

About 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile

2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile (PubChem CID 137161509) has the molecular formula C14H7BrFN3O and a molecular weight of 332.13 g/mol. Its IUPAC name is 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile
PubChem CID137161509
Molecular FormulaC14H7BrFN3O
Molecular Weight332.13 g/mol
Exact Mass330.98
IUPAC Name2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Br)c2c(O)[nH]cc2n1
InChIInChI=1S/C14H7BrFN3O/c15-8-4-10(19-11-6-18-14(20)13(8)11)12-7(5-17)2-1-3-9(12)16/h1-4,6,18,20H
InChIKeyUXYSATLBVLYLNH-UHFFFAOYSA-N
XLogP3.71
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.13
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 136029155
9-Amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136626534
9-Amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136657661
2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137073025
4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137083284
2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137119271
6-(6-fluoro-1H-indol-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137133525
2-(2-fluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137136844
Tert-butyl 4-bromo-2-(2-cyano-6-fluorophenyl)-5-hydroxypyrrolo[3,4-b]pyridine-6-carboxylate
CID 137146256
6-[(4-Bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137147897
2-(2,6-difluorophenyl)-4-(ethylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137156453
2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137159888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile?
The IUPAC name of 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile (CID 137161509) is 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile?
The canonical SMILES for 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile is N#Cc1cccc(F)c1-c1cc(Br)c2c(O)[nH]cc2n1.
What is the InChIKey of 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile?
The InChIKey is UXYSATLBVLYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3O/c15-8-4-10(19-11-6-18-14(20)13(8)11)12-7(5-17)2-1-3-9(12)16/h1-4,6,18,20H.
What are the key properties of 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile?
2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile has a molecular weight of 332.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-2-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 137161509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).