[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone

C20H12F2N2O2 — CID 11245029

IUPAC[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H12F2N2O2/c21-13-6-12(7-14(22)9-13)16-4-5-23-20-18(16)17(10-24-20)19(26)11-2-1-3-15(25)8-11/h1-10,25H,(H,23,24)
InChIKeyFAWVBDGJUQHPOB-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.44
Rot. Bonds3

About [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone

[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone (PubChem CID 11245029) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone
PubChem CID11245029
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H12F2N2O2/c21-13-6-12(7-14(22)9-13)16-4-5-23-20-18(16)17(10-24-20)19(26)11-2-1-3-15(25)8-11/h1-10,25H,(H,23,24)
InChIKeyFAWVBDGJUQHPOB-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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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone (CID 11245029) is [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12.
What is the InChIKey of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is FAWVBDGJUQHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-13-6-12(7-14(22)9-13)16-4-5-23-20-18(16)17(10-24-20)19(26)11-2-1-3-15(25)8-11/h1-10,25H,(H,23,24).
What are the key properties of [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone?
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)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 [4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 11245029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).