[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone

C22H14ClF3N2O2 — CID 141356028

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(CO)c2)c2ccccc21
InChIInChI=1S/C22H14ClF3N2O2/c23-17-9-4-8-16(22(24,25)26)19(17)21(30)28-18-10-2-1-7-15(18)20(27-28)14-6-3-5-13(11-14)12-29/h1-11,29H,12H2
InChIKeyABURTWRUMMHSIK-UHFFFAOYSA-N
MW430.81 g/mol
LogP5.56
Rot. Bonds3

About [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone

[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone (PubChem CID 141356028) has the molecular formula C22H14ClF3N2O2 and a molecular weight of 430.81 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
PubChem CID141356028
Molecular FormulaC22H14ClF3N2O2
Molecular Weight430.81 g/mol
Exact Mass430.07
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(CO)c2)c2ccccc21
InChIInChI=1S/C22H14ClF3N2O2/c23-17-9-4-8-16(22(24,25)26)19(17)21(30)28-18-10-2-1-7-15(18)20(27-28)14-6-3-5-13(11-14)12-29/h1-11,29H,12H2
InChIKeyABURTWRUMMHSIK-UHFFFAOYSA-N
XLogP5.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
CID 144574802
[2-chloro-6-(trifluoromethyl)phenyl]-[3-(3-fluorophenyl)pyrazolo[4,3-b]pyridin-1-yl]methanone
CID 141356032
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-pyrimidin-2-ylindazol-3-yl]benzoic acid
CID 73295762
methyl 4-[6-(aminomethyl)-1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoate
CID 90039032
sodium;4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(2-hydroxyethylcarbamoyl)indazol-3-yl]benzoic acid;hydride
CID 173468737
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(3-methylimidazol-4-yl)indazol-3-yl]benzoic acid
CID 90039191
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
CID 141356037
3-[1-(2,6-dichlorobenzoyl)-6-fluoroindazol-3-yl]benzoic acid
CID 140694937
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-5-(2-hydroxyethylcarbamoyl)thieno[3,2-c]pyrazol-3-yl]benzoic acid
CID 90466287
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(5-methyl-1,3-oxazol-2-yl)indazol-3-yl]benzoate
CID 138752730
2-chloro-4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridin-3-yl]-5-fluorobenzoic acid
CID 88920186

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone (CID 141356028) is [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone is O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(-c2cccc(CO)c2)c2ccccc21.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone?
The InChIKey is ABURTWRUMMHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N2O2/c23-17-9-4-8-16(22(24,25)26)19(17)21(30)28-18-10-2-1-7-15(18)20(27-28)14-6-3-5-13(11-14)12-29/h1-11,29H,12H2.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone?
[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone has a molecular weight of 430.81 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone is sourced from PubChem (CID 141356028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).