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

C19H12F2N2O — CID 59700010

IUPAC3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc(F)cc4F)c3c2)c1
InChIInChI=1S/C19H12F2N2O/c20-13-4-5-15(18(21)8-13)17-10-23-19-16(17)7-12(9-22-19)11-2-1-3-14(24)6-11/h1-10,24H,(H,22,23)
InChIKeyRCZBNYLZOYKQLN-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.88
Rot. Bonds2

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

3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 59700010) has the molecular formula C19H12F2N2O and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID59700010
Molecular FormulaC19H12F2N2O
Molecular Weight322.31 g/mol
Exact Mass322.09
IUPAC Name3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc(F)cc4F)c3c2)c1
InChIInChI=1S/C19H12F2N2O/c20-13-4-5-15(18(21)8-13)17-10-23-19-16(17)7-12(9-22-19)11-2-1-3-14(24)6-11/h1-10,24H,(H,22,23)
InChIKeyRCZBNYLZOYKQLN-UHFFFAOYSA-N
XLogP4.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 135983722
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700118
3-(2,4-difluorophenyl)phenol
CID 11356203
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700024
5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161416992
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
3-(3,5-difluoro-2-methoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 146342625
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 59700010) is 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3[nH]cc(-c4ccc(F)cc4F)c3c2)c1.
What is the InChIKey of 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is RCZBNYLZOYKQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O/c20-13-4-5-15(18(21)8-13)17-10-23-19-16(17)7-12(9-22-19)11-2-1-3-14(24)6-11/h1-10,24H,(H,22,23).
What are the key properties of 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 322.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 59700010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).