4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol

C17H10F2N2O2S — CID 118967684

IUPAC4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
SMILESOc1c(F)cc(F)c(O)c1-c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C17H10F2N2O2S/c18-12-4-13(19)16(23)14(15(12)22)11-6-21-17-10(11)3-9(5-20-17)8-1-2-24-7-8/h1-7,22-23H,(H,20,21)
InChIKeyPZBSKDSMJCPQOR-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.65
Rot. Bonds2

About 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol

4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol (PubChem CID 118967684) has the molecular formula C17H10F2N2O2S and a molecular weight of 344.34 g/mol. Its IUPAC name is 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
PubChem CID118967684
Molecular FormulaC17H10F2N2O2S
Molecular Weight344.34 g/mol
Exact Mass344.04
IUPAC Name4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol
SMILESOc1c(F)cc(F)c(O)c1-c1c[nH]c2ncc(-c3ccsc3)cc12
InChIInChI=1S/C17H10F2N2O2S/c18-12-4-13(19)16(23)14(15(12)22)11-6-21-17-10(11)3-9(5-20-17)8-1-2-24-7-8/h1-7,22-23H,(H,20,21)
InChIKeyPZBSKDSMJCPQOR-UHFFFAOYSA-N
XLogP4.65
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-difluorophenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11450654
4-[4-fluoro-2-methoxy-3-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 90226220
(3-chloro-2-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 134450440
2-(2-fluoro-5-hydroxyphenyl)-5,5-dimethyl-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexane-1,3-dione
CID 67005815
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
4-[4-fluoro-3-methoxy-5-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]morpholine
CID 90226221
(5-methyl-1,2-oxazol-3-yl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 11209054
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
6-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyridin-2-one
CID 58087908
3-(2,3-difluorophenyl)-5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59699705
1-[3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]ethanone
CID 143385170
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol?
The IUPAC name of 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol (CID 118967684) is 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol?
The canonical SMILES for 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol is Oc1c(F)cc(F)c(O)c1-c1c[nH]c2ncc(-c3ccsc3)cc12.
What is the InChIKey of 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol?
The InChIKey is PZBSKDSMJCPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O2S/c18-12-4-13(19)16(23)14(15(12)22)11-6-21-17-10(11)3-9(5-20-17)8-1-2-24-7-8/h1-7,22-23H,(H,20,21).
What are the key properties of 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol?
4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol has a molecular weight of 344.34 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzene-1,3-diol is sourced from PubChem (CID 118967684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).