4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol

C13H9F2N3O — CID 137083284

IUPAC4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESNc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12
InChIInChI=1S/C13H9F2N3O/c14-6-2-1-3-7(15)11(6)9-4-8(16)12-10(18-9)5-17-13(12)19/h1-5,17,19H,16H2
InChIKeyBASMYWKYTWHXMZ-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.80
Rot. Bonds1

About 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol

4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137083284) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137083284
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESNc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12
InChIInChI=1S/C13H9F2N3O/c14-6-2-1-3-7(15)11(6)9-4-8(16)12-10(18-9)5-17-13(12)19/h1-5,17,19H,16H2
InChIKeyBASMYWKYTWHXMZ-UHFFFAOYSA-N
XLogP2.80
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid
CID 137037285
2-(2-fluoro-6-methylphenyl)-4-propan-2-yl-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137047511
4-[[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137047813
2-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030175
4-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-2,2-dimethylmorpholin-3-one
CID 137060956
[4-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 137156252
4-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137160920
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137152798
2-(2,6-difluorophenyl)-4-(4-ethylanilino)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137019000
4-amino-7-fluoro-2H-isoindol-1-ol
CID 91052579
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
CID 142528007

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137083284) is 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is Nc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12.
What is the InChIKey of 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BASMYWKYTWHXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-6-2-1-3-7(15)11(6)9-4-8(16)12-10(18-9)5-17-13(12)19/h1-5,17,19H,16H2.
What are the key properties of 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol?
4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 261.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137083284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).