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

C19H13F2N3O — CID 58182229

IUPAC2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(F)c(Cc2c[nH]c3ncc(-c4ccccn4)cc23)c1F
InChIInChI=1S/C19H13F2N3O/c20-15-4-5-17(25)18(21)14(15)7-11-9-23-19-13(11)8-12(10-24-19)16-3-1-2-6-22-16/h1-6,8-10,25H,7H2,(H,23,24)
InChIKeyWFOKSKSXDYCMSZ-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.20
Rot. Bonds3

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

2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (PubChem CID 58182229) has the molecular formula C19H13F2N3O and a molecular weight of 337.33 g/mol. Its IUPAC name is 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
PubChem CID58182229
Molecular FormulaC19H13F2N3O
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(F)c(Cc2c[nH]c3ncc(-c4ccccn4)cc23)c1F
InChIInChI=1S/C19H13F2N3O/c20-15-4-5-17(25)18(21)14(15)7-11-9-23-19-13(11)8-12(10-24-19)16-3-1-2-6-22-16/h1-6,8-10,25H,7H2,(H,23,24)
InChIKeyWFOKSKSXDYCMSZ-UHFFFAOYSA-N
XLogP4.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The IUPAC name of 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (CID 58182229) is 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is Oc1ccc(F)c(Cc2c[nH]c3ncc(-c4ccccn4)cc23)c1F.
What is the InChIKey of 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The InChIKey is WFOKSKSXDYCMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O/c20-15-4-5-17(25)18(21)14(15)7-11-9-23-19-13(11)8-12(10-24-19)16-3-1-2-6-22-16/h1-6,8-10,25H,7H2,(H,23,24).
What are the key properties of 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol has a molecular weight of 337.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[(5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 58182229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).