[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

C22H15ClF4N2O2 — CID 118971190

IUPAC[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESOCc1c(-c2ccc(F)nc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H15ClF4N2O2/c23-17-4-2-1-3-14(17)11-29-18-7-6-15(31-22(25,26)27)9-16(18)21(19(29)12-30)13-5-8-20(24)28-10-13/h1-10,30H,11-12H2
InChIKeyJWPREXYWJSIBTG-UHFFFAOYSA-N
MW450.82 g/mol
LogP5.93
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (PubChem CID 118971190) has the molecular formula C22H15ClF4N2O2 and a molecular weight of 450.82 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
PubChem CID118971190
Molecular FormulaC22H15ClF4N2O2
Molecular Weight450.82 g/mol
Exact Mass450.08
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
SMILESOCc1c(-c2ccc(F)nc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C22H15ClF4N2O2/c23-17-4-2-1-3-14(17)11-29-18-7-6-15(31-22(25,26)27)9-16(18)21(19(29)12-30)13-5-8-20(24)28-10-13/h1-10,30H,11-12H2
InChIKeyJWPREXYWJSIBTG-UHFFFAOYSA-N
XLogP5.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.82
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol (CID 118971190) is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is OCc1c(-c2ccc(F)nc2)c2cc(OC(F)(F)F)ccc2n1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
The InChIKey is JWPREXYWJSIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O2/c23-17-4-2-1-3-14(17)11-29-18-7-6-15(31-22(25,26)27)9-16(18)21(19(29)12-30)13-5-8-20(24)28-10-13/h1-10,30H,11-12H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol has a molecular weight of 450.82 g/mol, XLogP of 5.93, 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-(6-fluoro-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol is sourced from PubChem (CID 118971190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).