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

C19H12F3N3O — CID 137073025

IUPAC2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C19H12F3N3O/c20-10-4-6-11(7-5-10)24-15-8-14(17-12(21)2-1-3-13(17)22)25-16-9-23-19(26)18(15)16/h1-9,23-24,26H
InChIKeyWGCUEWYDVPNOKX-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.10
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137073025) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137073025
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C19H12F3N3O/c20-10-4-6-11(7-5-10)24-15-8-14(17-12(21)2-1-3-13(17)22)25-16-9-23-19(26)18(15)16/h1-9,23-24,26H
InChIKeyWGCUEWYDVPNOKX-UHFFFAOYSA-N
XLogP5.10
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

3-(1H-Indol-4-yl)-5-[(pyridin-3-yl)amino]phenol
CID 15604188
3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135932346
3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985512
3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135988932
3-[(E)-[3-[(E)-2-pyridin-2-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988957
3-[(E)-(3-pyridin-3-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135989019
Marinoquinoline D
CID 52952005
2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 136029155
9,12,20-Triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-16-ol
CID 14783715
2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol
CID 56839382
2-[6-(4-hydroxyphenyl)pyrazin-2-yl]-1H-indol-5-ol
CID 136098622
2-[6-(4-hydroxyphenyl)pyrazin-2-yl]-1H-indol-6-ol
CID 136098625

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137073025) is 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cc3)c12.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is WGCUEWYDVPNOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-10-4-6-11(7-5-10)24-15-8-14(17-12(21)2-1-3-13(17)22)25-16-9-23-19(26)18(15)16/h1-9,23-24,26H.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 355.32 g/mol, XLogP of 5.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-fluoroanilino)-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137073025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).