(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

C16H14N2O2 — CID 166063507

IUPAC(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESCc1cc(C(=O)n2ccc3cccnc32)cc(C)c1O
InChIInChI=1S/C16H14N2O2/c1-10-8-13(9-11(2)14(10)19)16(20)18-7-5-12-4-3-6-17-15(12)18/h3-9,19H,1-2H3
InChIKeyIIPAGXTZTTVAQE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.05
Rot. Bonds1

About (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (PubChem CID 166063507) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
PubChem CID166063507
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESCc1cc(C(=O)n2ccc3cccnc32)cc(C)c1O
InChIInChI=1S/C16H14N2O2/c1-10-8-13(9-11(2)14(10)19)16(20)18-7-5-12-4-3-6-17-15(12)18/h3-9,19H,1-2H3
InChIKeyIIPAGXTZTTVAQE-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869549
3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 9999648
(3-Tert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 46914575
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130
2-Hydroxy-5-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 134149357
3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one
CID 19697378
N-[6-(4-hydroxy-3,5-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]Benzamide
CID 150040152
3-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 151242410
URAT1 inhibitor 3
CID 165412792
(4-Hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063500
(3-Chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063505
(4-Hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063506

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The IUPAC name of (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (CID 166063507) is (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is Cc1cc(C(=O)n2ccc3cccnc32)cc(C)c1O.
What is the InChIKey of (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The InChIKey is IIPAGXTZTTVAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-8-13(9-11(2)14(10)19)16(20)18-7-5-12-4-3-6-17-15(12)18/h3-9,19H,1-2H3.
What are the key properties of (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
(4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone has a molecular weight of 266.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).