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

C20H14N2O2 — CID 11544170

IUPAC4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyKSFDVNIKNYXUIP-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.60
Rot. Bonds3

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

4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid (PubChem CID 11544170) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
PubChem CID11544170
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyKSFDVNIKNYXUIP-UHFFFAOYSA-N
XLogP4.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
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-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid (CID 11544170) is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The InChIKey is KSFDVNIKNYXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 11544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).