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

C18H13N3O — CID 59699898

IUPAC3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C18H13N3O/c22-15-3-1-2-13(8-15)14-9-16-17(11-21-18(16)20-10-14)12-4-6-19-7-5-12/h1-11,22H,(H,20,21)
InChIKeyNRGUQSFDRYOBEH-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds2

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

3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (PubChem CID 59699898) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
PubChem CID59699898
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C18H13N3O/c22-15-3-1-2-13(8-15)14-9-16-17(11-21-18(16)20-10-14)12-4-6-19-7-5-12/h1-11,22H,(H,20,21)
InChIKeyNRGUQSFDRYOBEH-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 135983722
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700024
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700118
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705
3-[3-[(E)-hex-3-en-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 143178876
3-(2-methoxy-3-pyridinyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59700021
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The IUPAC name of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (CID 59699898) is 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.
What is the SMILES notation for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The canonical SMILES for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is Oc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1.
What is the InChIKey of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The InChIKey is NRGUQSFDRYOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-15-3-1-2-13(8-15)14-9-16-17(11-21-18(16)20-10-14)12-4-6-19-7-5-12/h1-11,22H,(H,20,21).
What are the key properties of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol has a molecular weight of 287.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is sourced from PubChem (CID 59699898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).