5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene

C18H20BrFN2O — CID 144735481

IUPAC5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene
SMILESC=C.CC.COc1c(F)cccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H10BrFN2O.C2H6.C2H4/c1-19-13-9(3-2-4-12(13)16)11-7-18-14-10(11)5-8(15)6-17-14;2*1-2/h2-7H,1H3,(H,17,18);1-2H3;1-2H2
InChIKeyQYRWWPVKPBNDMB-UHFFFAOYSA-N
MW379.27 g/mol
LogP5.97
Rot. Bonds2

About 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene

5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene (PubChem CID 144735481) has the molecular formula C18H20BrFN2O and a molecular weight of 379.27 g/mol. Its IUPAC name is 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene.

Molecular Properties

Compound Name5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene
PubChem CID144735481
Molecular FormulaC18H20BrFN2O
Molecular Weight379.27 g/mol
Exact Mass378.07
IUPAC Name5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene
SMILESC=C.CC.COc1c(F)cccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H10BrFN2O.C2H6.C2H4/c1-19-13-9(3-2-4-12(13)16)11-7-18-14-10(11)5-8(15)6-17-14;2*1-2/h2-7H,1H3,(H,17,18);1-2H3;1-2H2
InChIKeyQYRWWPVKPBNDMB-UHFFFAOYSA-N
XLogP5.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 70973837
3-(3,5-difluoro-2-methoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 146342625
5-bromo-3-(3-fluoro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
CID 144646789
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
CID 96617521
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)oxy]-2,4-difluoroaniline
CID 146501921
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene?
The IUPAC name of 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene (CID 144735481) is 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene.
What is the SMILES notation for 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene?
The canonical SMILES for 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene is C=C.CC.COc1c(F)cccc1-c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene?
The InChIKey is QYRWWPVKPBNDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O.C2H6.C2H4/c1-19-13-9(3-2-4-12(13)16)11-7-18-14-10(11)5-8(15)6-17-14;2*1-2/h2-7H,1H3,(H,17,18);1-2H3;1-2H2.
What are the key properties of 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene?
5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene has a molecular weight of 379.27 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;ethane;ethene is sourced from PubChem (CID 144735481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).