[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol

C22H16ClF3N2O2 — CID 118971160

IUPAC[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESOCc1c(-c2ccncc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H16ClF3N2O2/c23-18-4-2-1-3-15(18)12-28-19-6-5-16(30-22(24,25)26)11-17(19)21(20(28)13-29)14-7-9-27-10-8-14/h1-11,29H,12-13H2
InChIKeyBSYLASCUSQOCCZ-UHFFFAOYSA-N
MW432.83 g/mol
LogP5.80
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 118971160) has the molecular formula C22H16ClF3N2O2 and a molecular weight of 432.83 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID118971160
Molecular FormulaC22H16ClF3N2O2
Molecular Weight432.83 g/mol
Exact Mass432.09
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESOCc1c(-c2ccncc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H16ClF3N2O2/c23-18-4-2-1-3-15(18)12-28-19-6-5-16(30-22(24,25)26)11-17(19)21(20(28)13-29)14-7-9-27-10-8-14/h1-11,29H,12-13H2
InChIKeyBSYLASCUSQOCCZ-UHFFFAOYSA-N
XLogP5.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol (CID 118971160) is [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol is OCc1c(-c2ccncc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is BSYLASCUSQOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2O2/c23-18-4-2-1-3-15(18)12-28-19-6-5-16(30-22(24,25)26)11-17(19)21(20(28)13-29)14-7-9-27-10-8-14/h1-11,29H,12-13H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 432.83 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 118971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).