6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol

C15H12F3NO2 — CID 58484062

IUPAC6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol
SMILESOC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-13-14(19-11)12(20)6-7-21-13/h1-5,8,12,20H,6-7H2
InChIKeyJBPTWCJZYPQRJE-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.58
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol

6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol (PubChem CID 58484062) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol
PubChem CID58484062
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol
SMILESOC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-13-14(19-11)12(20)6-7-21-13/h1-5,8,12,20H,6-7H2
InChIKeyJBPTWCJZYPQRJE-UHFFFAOYSA-N
XLogP3.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine-4-carboxylic acid
CID 58484116
6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide
CID 46205353
N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 58484132
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 67174394
4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid
CID 58874876
quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129456481
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233230
N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
CID 123858527

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol (CID 58484062) is 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol is OC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol?
The InChIKey is JBPTWCJZYPQRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)10-3-1-2-9(8-10)11-4-5-13-14(19-11)12(20)6-7-21-13/h1-5,8,12,20H,6-7H2.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol?
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol has a molecular weight of 295.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol is sourced from PubChem (CID 58484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).