1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol

C13H10ClF3N2O — CID 106972010

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H10ClF3N2O/c14-12-9(3-4-11(19-12)13(15,16)17)10(20)6-8-2-1-5-18-7-8/h1-5,7,10,20H,6H2
InChIKeyOMEWDESFSVTYGN-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.42
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol (PubChem CID 106972010) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
PubChem CID106972010
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H10ClF3N2O/c14-12-9(3-4-11(19-12)13(15,16)17)10(20)6-8-2-1-5-18-7-8/h1-5,7,10,20H,6H2
InChIKeyOMEWDESFSVTYGN-UHFFFAOYSA-N
XLogP3.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylsulfanylethanol
CID 106972112
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,4,4-trimethylpentan-1-ol
CID 106972121
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol (CID 106972010) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol?
The InChIKey is OMEWDESFSVTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-12-9(3-4-11(19-12)13(15,16)17)10(20)6-8-2-1-5-18-7-8/h1-5,7,10,20H,6H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol has a molecular weight of 302.68 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol is sourced from PubChem (CID 106972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).