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

C19H14FN3O — CID 137044998

IUPAC6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1Cc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C19H14FN3O/c20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-18-16(19(23)24)4-2-8-22-18/h1-10,12,24H,11H2
InChIKeyXKHPYRZVLCMICC-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.99
Rot. Bonds3

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

6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137044998) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137044998
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1Cc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C19H14FN3O/c20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-18-16(19(23)24)4-2-8-22-18/h1-10,12,24H,11H2
InChIKeyXKHPYRZVLCMICC-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137044998) is 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is Oc1c2cccnc2cn1Cc1ccc(-c2cccnc2)cc1F.
What is the InChIKey of 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is XKHPYRZVLCMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-18-16(19(23)24)4-2-8-22-18/h1-10,12,24H,11H2.
What are the key properties of 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 319.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).