6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol

C16H13FN2O2 — CID 145357825

IUPAC6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESOC/C=C/c1ccc(-c2nc3cc(O)[nH]c3cc2F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-8-13-14(9-15(21)18-13)19-16(12)11-5-3-10(4-6-11)2-1-7-20/h1-6,8-9,18,20-21H,7H2/b2-1+
InChIKeyGIUGPAYHGIIGLQ-OWOJBTEDSA-N
MW284.29 g/mol
LogP3.08
Rot. Bonds3

About 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol

6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol (PubChem CID 145357825) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol
PubChem CID145357825
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESOC/C=C/c1ccc(-c2nc3cc(O)[nH]c3cc2F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-8-13-14(9-15(21)18-13)19-16(12)11-5-3-10(4-6-11)2-1-7-20/h1-6,8-9,18,20-21H,7H2/b2-1+
InChIKeyGIUGPAYHGIIGLQ-OWOJBTEDSA-N
XLogP3.08
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol?
The IUPAC name of 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol (CID 145357825) is 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol.
What is the SMILES notation for 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol?
The canonical SMILES for 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol is OC/C=C/c1ccc(-c2nc3cc(O)[nH]c3cc2F)cc1.
What is the InChIKey of 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol?
The InChIKey is GIUGPAYHGIIGLQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-8-13-14(9-15(21)18-13)19-16(12)11-5-3-10(4-6-11)2-1-7-20/h1-6,8-9,18,20-21H,7H2/b2-1+.
What are the key properties of 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol?
6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol has a molecular weight of 284.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1H-pyrrolo[3,2-b]pyridin-2-ol is sourced from PubChem (CID 145357825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).