3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile

C20H11ClFN3O — CID 163234220

IUPAC3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H11ClFN3O/c21-17-7-12(10-23)1-4-16(17)13-2-6-19-14(8-13)11-24-25(19)15-3-5-18(22)20(26)9-15/h1-9,11,26H
InChIKeyCKLXDGJPRYTFFG-UHFFFAOYSA-N
MW363.78 g/mol
LogP5.06
Rot. Bonds2

About 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile

3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile (PubChem CID 163234220) has the molecular formula C20H11ClFN3O and a molecular weight of 363.78 g/mol. Its IUPAC name is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
PubChem CID163234220
Molecular FormulaC20H11ClFN3O
Molecular Weight363.78 g/mol
Exact Mass363.06
IUPAC Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H11ClFN3O/c21-17-7-12(10-23)1-4-16(17)13-2-6-19-14(8-13)11-24-25(19)15-3-5-18(22)20(26)9-15/h1-9,11,26H
InChIKeyCKLXDGJPRYTFFG-UHFFFAOYSA-N
XLogP5.06
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.78
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid;3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
CID 174185433
5-(5-bromoindazol-1-yl)-2-fluorophenol
CID 163234294
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 163234287
5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
CID 163234142
5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
CID 163233880
1-(1H-pyrazol-4-yl)indazole-5-carbonitrile
CID 175755944
2-fluoro-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenol
CID 163234419
5-fluoro-1-[4-(2-fluorophenyl)phenyl]indazol-6-ol
CID 163233211
1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
CID 163234431
5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]pyridin-3-ol
CID 163234260
2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
CID 170685629
3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile
CID 53220133

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile (CID 163234220) is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The canonical SMILES for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The InChIKey is CKLXDGJPRYTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN3O/c21-17-7-12(10-23)1-4-16(17)13-2-6-19-14(8-13)11-24-25(19)15-3-5-18(22)20(26)9-15/h1-9,11,26H.
What are the key properties of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile has a molecular weight of 363.78 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile is sourced from PubChem (CID 163234220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).