2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol

C15H13FN2O — CID 137119271

IUPAC2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cccc(F)c1-c1cc(C)c2c(O)[nH]cc2n1
InChIInChI=1S/C15H13FN2O/c1-8-4-3-5-10(16)13(8)11-6-9(2)14-12(18-11)7-17-15(14)19/h3-7,17,19H,1-2H3
InChIKeyANCOADSNTCWPSA-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.69
Rot. Bonds1

About 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol

2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137119271) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137119271
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cccc(F)c1-c1cc(C)c2c(O)[nH]cc2n1
InChIInChI=1S/C15H13FN2O/c1-8-4-3-5-10(16)13(8)11-6-9(2)14-12(18-11)7-17-15(14)19/h3-7,17,19H,1-2H3
InChIKeyANCOADSNTCWPSA-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137119271) is 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol is Cc1cccc(F)c1-c1cc(C)c2c(O)[nH]cc2n1.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ANCOADSNTCWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-8-4-3-5-10(16)13(8)11-6-9(2)14-12(18-11)7-17-15(14)19/h3-7,17,19H,1-2H3.
What are the key properties of 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 256.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylphenyl)-4-methyl-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).