2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol

C17H10F2N4O2 — CID 170685678

IUPAC2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
SMILESOc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1
InChIInChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H
InChIKeyBXQJYECMEBHCJF-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.17
Rot. Bonds2

About 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol

2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol (PubChem CID 170685678) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
PubChem CID170685678
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
SMILESOc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1
InChIInChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H
InChIKeyBXQJYECMEBHCJF-UHFFFAOYSA-N
XLogP3.17
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The IUPAC name of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol (CID 170685678) is 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol.
What is the SMILES notation for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The canonical SMILES for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol is Oc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1.
What is the InChIKey of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The InChIKey is BXQJYECMEBHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H.
What are the key properties of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol has a molecular weight of 340.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol is sourced from PubChem (CID 170685678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).