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

C20H12F2N2O2 — CID 163364698

IUPAC(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccccc3O)cc12
InChIInChI=1S/C20H12F2N2O2/c21-15-5-3-6-16(22)18(15)19(26)14-10-24-20-13(14)8-11(9-23-20)12-4-1-2-7-17(12)25/h1-10,25H,(H,23,24)
InChIKeyDLGNPSHGKRNVBC-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.44
Rot. Bonds3

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

(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 163364698) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID163364698
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccccc3O)cc12
InChIInChI=1S/C20H12F2N2O2/c21-15-5-3-6-16(22)18(15)19(26)14-10-24-20-13(14)8-11(9-23-20)12-4-1-2-7-17(12)25/h1-10,25H,(H,23,24)
InChIKeyDLGNPSHGKRNVBC-UHFFFAOYSA-N
XLogP4.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-(5-quinolin-7-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 141301511
N-[2,4-difluoro-3-(5-naphthalen-1-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 135248830
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 58086673
(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163410662
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
1-benzothiophene-2-thiol;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluorophenyl)methanone
CID 143712064
[2,6-difluoro-3-[(3-fluorophenyl)methylamino]phenyl]-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 123888749
(3-amino-2-chloro-6-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68750642
N-[2,4-difluoro-3-[5-(1H-indazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 58368837
2,4-difluoro-3-[5-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67374830
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 163364698) is (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3ccccc3O)cc12.
What is the InChIKey of (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is DLGNPSHGKRNVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-15-5-3-6-16(22)18(15)19(26)14-10-24-20-13(14)8-11(9-23-20)12-4-1-2-7-17(12)25/h1-10,25H,(H,23,24).
What are the key properties of (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 350.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 163364698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).