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

C16H15F3N2O2 — CID 71554996

IUPAC3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
SMILESOC1CC(c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)13-7-10(4-6-21-13)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2/t11?,14-,15?/m1/s1
InChIKeyKRWGRNQLANSJKG-XGTXGMFGSA-N
MW324.30 g/mol
LogP2.62
Rot. Bonds3

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

3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol (PubChem CID 71554996) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
PubChem CID71554996
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
SMILESOC1CC(c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)13-7-10(4-6-21-13)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2/t11?,14-,15?/m1/s1
InChIKeyKRWGRNQLANSJKG-XGTXGMFGSA-N
XLogP2.62
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol (CID 71554996) is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol is OC1CC(c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1.
What is the InChIKey of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The InChIKey is KRWGRNQLANSJKG-XGTXGMFGSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)13-7-10(4-6-21-13)15(8-11(22)9-15)14(23)12-3-1-2-5-20-12/h1-7,11,14,22-23H,8-9H2/t11?,14-,15?/m1/s1.
What are the key properties of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol has a molecular weight of 324.30 g/mol, XLogP of 2.62, 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]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 71554996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).