3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

C17H17F3N2O2 — CID 71554840

IUPAC3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCC1(O)CC(c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15?,16?/m1/s1
InChIKeyMTJXDHFAWXGXIN-QQFBHYJXSA-N
MW338.33 g/mol
LogP3.01
Rot. Bonds3

About 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol

3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (PubChem CID 71554840) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
PubChem CID71554840
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCC1(O)CC(c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15?,16?/m1/s1
InChIKeyMTJXDHFAWXGXIN-QQFBHYJXSA-N
XLogP3.01
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-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

Metyrapol
CID 161210
4,4'-Bis(hydroxymethyl)-2,2'-bipyridine
CID 11160239
(7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11372427
(7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11462727
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71519630
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71554708
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)pyridin-2-yl]-cyclobutanol
CID 71554839
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554922
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554996
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555668
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555736
1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol (CID 71554840) is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is CC1(O)CC(c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1.
What is the InChIKey of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is MTJXDHFAWXGXIN-QQFBHYJXSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15?,16?/m1/s1.
What are the key properties of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol?
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 338.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 71554840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).