[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol

C15H10F5N3O — CID 155005390

IUPAC[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F5N3O/c16-9-3-8-11(4-10(9)17)21-6-12(8)23-14(24)7-1-2-13(22-5-7)15(18,19)20/h1-6,14,21,23-24H
InChIKeyQGMRXQINZOTMED-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.96
Rot. Bonds3

About [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol

[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 155005390) has the molecular formula C15H10F5N3O and a molecular weight of 343.26 g/mol. Its IUPAC name is [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID155005390
Molecular FormulaC15H10F5N3O
Molecular Weight343.26 g/mol
Exact Mass343.07
IUPAC Name[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H10F5N3O/c16-9-3-8-11(4-10(9)17)21-6-12(8)23-14(24)7-1-2-13(22-5-7)15(18,19)20/h1-6,14,21,23-24H
InChIKeyQGMRXQINZOTMED-UHFFFAOYSA-N
XLogP3.96
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]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 [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 155005390) is [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol is OC(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is QGMRXQINZOTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O/c16-9-3-8-11(4-10(9)17)21-6-12(8)23-14(24)7-1-2-13(22-5-7)15(18,19)20/h1-6,14,21,23-24H.
What are the key properties of [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 343.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-difluoro-1H-indol-3-yl)amino]-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 155005390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).