(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C18H12FN3O2 — CID 163410662

IUPAC(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1cccc(O)c1F)c1c[nH]c2ncc(-c3ccc[nH]3)cc12
InChIInChI=1S/C18H12FN3O2/c19-16-11(3-1-5-15(16)23)17(24)13-9-22-18-12(13)7-10(8-21-18)14-4-2-6-20-14/h1-9,20,23H,(H,21,22)
InChIKeyAAEPGCZIZZHXOD-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.63
Rot. Bonds3

About (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 163410662) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID163410662
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1cccc(O)c1F)c1c[nH]c2ncc(-c3ccc[nH]3)cc12
InChIInChI=1S/C18H12FN3O2/c19-16-11(3-1-5-15(16)23)17(24)13-9-22-18-12(13)7-10(8-21-18)14-4-2-6-20-14/h1-9,20,23H,(H,21,22)
InChIKeyAAEPGCZIZZHXOD-UHFFFAOYSA-N
XLogP3.63
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 58086573
(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163364698
[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-pyrrolidin-1-ylphenyl)methanone
CID 90116750
2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68752286
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
N-[2-fluoro-3-[5-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]methanesulfinamide
CID 142402683
(5-cyclohexa-1,5-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 143384662
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
N-[2-fluoro-3-[5-(6-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyrrolidine-1-sulfonamide
CID 90116656
(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 134450440
N-[2-fluoro-3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-1-phenylmethanesulfonamide
CID 146302460
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 58086673

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 163410662) is (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is O=C(c1cccc(O)c1F)c1c[nH]c2ncc(-c3ccc[nH]3)cc12.
What is the InChIKey of (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is AAEPGCZIZZHXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-16-11(3-1-5-15(16)23)17(24)13-9-22-18-12(13)7-10(8-21-18)14-4-2-6-20-14/h1-9,20,23H,(H,21,22).
What are the key properties of (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 321.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 163410662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).