3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile

C14H8F2N4O — CID 72942452

IUPAC3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile
SMILESN#Cc1cc2[nH]nc(N)c2cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H8F2N4O/c15-8-1-2-12(10(16)4-8)21-13-5-9-11(3-7(13)6-17)19-20-14(9)18/h1-5H,(H3,18,19,20)
InChIKeyQAXHHKSMPHTSCA-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.09
Rot. Bonds2

About 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile

3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile (PubChem CID 72942452) has the molecular formula C14H8F2N4O and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile
PubChem CID72942452
Molecular FormulaC14H8F2N4O
Molecular Weight286.24 g/mol
Exact Mass286.07
IUPAC Name3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile
SMILESN#Cc1cc2[nH]nc(N)c2cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H8F2N4O/c15-8-1-2-12(10(16)4-8)21-13-5-9-11(3-7(13)6-17)19-20-14(9)18/h1-5H,(H3,18,19,20)
InChIKeyQAXHHKSMPHTSCA-UHFFFAOYSA-N
XLogP3.09
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile?
The IUPAC name of 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile (CID 72942452) is 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile is N#Cc1cc2[nH]nc(N)c2cc1Oc1ccc(F)cc1F.
What is the InChIKey of 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile?
The InChIKey is QAXHHKSMPHTSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O/c15-8-1-2-12(10(16)4-8)21-13-5-9-11(3-7(13)6-17)19-20-14(9)18/h1-5H,(H3,18,19,20).
What are the key properties of 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile?
3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile has a molecular weight of 286.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,4-difluorophenoxy)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 72942452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).