1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol

C7H5ClF3NO — CID 67402815

IUPAC1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESOC(c1cncc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-5-1-4(2-12-3-5)6(13)7(9,10)11/h1-3,6,13H
InChIKeyQMYNFKZWIMUNNR-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.33
Rot. Bonds1

About 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol

1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 67402815) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID67402815
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol
SMILESOC(c1cncc(Cl)c1)C(F)(F)F
InChIInChI=1S/C7H5ClF3NO/c8-5-1-4(2-12-3-5)6(13)7(9,10)11/h1-3,6,13H
InChIKeyQMYNFKZWIMUNNR-UHFFFAOYSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol (CID 67402815) is 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol is OC(c1cncc(Cl)c1)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is QMYNFKZWIMUNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-5-1-4(2-12-3-5)6(13)7(9,10)11/h1-3,6,13H.
What are the key properties of 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol?
1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 211.57 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 67402815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).