7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

C15H11ClF3NO — CID 106972145

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H11ClF3NO/c16-14-10(5-6-12(20-14)15(17,18)19)13(21)11-7-8-3-1-2-4-9(8)11/h1-6,11,13,21H,7H2
InChIKeyGZOQODPNEAMRMW-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.13
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 106972145) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID106972145
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(C(F)(F)F)nc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H11ClF3NO/c16-14-10(5-6-12(20-14)15(17,18)19)13(21)11-7-8-3-1-2-4-9(8)11/h1-6,11,13,21H,7H2
InChIKeyGZOQODPNEAMRMW-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-cyclohexylmethanol
CID 106971520
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorophenyl)methanol
CID 64986314
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
CID 66395768
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylethanol
CID 106972112
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
CID 64986608
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 106972145) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(C(F)(F)F)nc1Cl)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GZOQODPNEAMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-14-10(5-6-12(20-14)15(17,18)19)13(21)11-7-8-3-1-2-4-9(8)11/h1-6,11,13,21H,7H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 313.71 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 106972145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).