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

C19H14N2O — CID 72792825

IUPAC4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C19H14N2O/c22-16-8-6-13(7-9-16)15-10-17-18(12-21-19(17)20-11-15)14-4-2-1-3-5-14/h1-12,22H,(H,20,21)
InChIKeyITYLGQGHVRSNFQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.60
Rot. Bonds2

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

4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (PubChem CID 72792825) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.

Molecular Properties

Compound Name4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
PubChem CID72792825
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C19H14N2O/c22-16-8-6-13(7-9-16)15-10-17-18(12-21-19(17)20-11-15)14-4-2-1-3-5-14/h1-12,22H,(H,20,21)
InChIKeyITYLGQGHVRSNFQ-UHFFFAOYSA-N
XLogP4.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The IUPAC name of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (CID 72792825) is 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.
What is the SMILES notation for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The canonical SMILES for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is Oc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The InChIKey is ITYLGQGHVRSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-16-8-6-13(7-9-16)15-10-17-18(12-21-19(17)20-11-15)14-4-2-1-3-5-14/h1-12,22H,(H,20,21).
What are the key properties of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol has a molecular weight of 286.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is sourced from PubChem (CID 72792825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).