(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

C15H12N2O2 — CID 166063506

IUPAC(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESCc1cc(C(=O)n2ccc3cccnc32)ccc1O
InChIInChI=1S/C15H12N2O2/c1-10-9-12(4-5-13(10)18)15(19)17-8-6-11-3-2-7-16-14(11)17/h2-9,18H,1H3
InChIKeyAGGFYJQNZFWHJP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.74
Rot. Bonds1

About (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (PubChem CID 166063506) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
PubChem CID166063506
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESCc1cc(C(=O)n2ccc3cccnc32)ccc1O
InChIInChI=1S/C15H12N2O2/c1-10-9-12(4-5-13(10)18)15(19)17-8-6-11-3-2-7-16-14(11)17/h2-9,18H,1H3
InChIKeyAGGFYJQNZFWHJP-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (CID 166063506) is (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is Cc1cc(C(=O)n2ccc3cccnc32)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The InChIKey is AGGFYJQNZFWHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-9-12(4-5-13(10)18)15(19)17-8-6-11-3-2-7-16-14(11)17/h2-9,18H,1H3.
What are the key properties of (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
(4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone has a molecular weight of 252.27 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).