2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol

C7H6ClF2NO — CID 118938576

IUPAC2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Cl)cn1
InChIInChI=1S/C7H6ClF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-3,12H,4H2
InChIKeyRPTVSVKUQIGDEG-UHFFFAOYSA-N
MW193.58 g/mol
LogP1.82
Rot. Bonds2

About 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol

2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol (PubChem CID 118938576) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol
PubChem CID118938576
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Cl)cn1
InChIInChI=1S/C7H6ClF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-3,12H,4H2
InChIKeyRPTVSVKUQIGDEG-UHFFFAOYSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol (CID 118938576) is 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol is OCC(F)(F)c1ccc(Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol?
The InChIKey is RPTVSVKUQIGDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-5-1-2-6(11-3-5)7(9,10)4-12/h1-3,12H,4H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol?
2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol has a molecular weight of 193.58 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-2,2-difluoroethanol is sourced from PubChem (CID 118938576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).