2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol

C7H6ClF2NO — CID 118639127

IUPAC2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Cl)nc1
InChIInChI=1S/C7H6ClF2NO/c8-6-2-1-5(3-11-6)7(9,10)4-12/h1-3,12H,4H2
InChIKeyOQQOZZSGUMKRFA-UHFFFAOYSA-N
MW193.58 g/mol
LogP1.82
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol

2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol (PubChem CID 118639127) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
PubChem CID118639127
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Cl)nc1
InChIInChI=1S/C7H6ClF2NO/c8-6-2-1-5(3-11-6)7(9,10)4-12/h1-3,12H,4H2
InChIKeyOQQOZZSGUMKRFA-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

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
3-Pyridineethanol
CID 80515
Alpha-(trichloromethyl)-4-pyridineethanol
CID 224859
4-Pyridinepropanol
CID 72923
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
(2-Chloropyridin-4-yl)methanol
CID 7062237
2-Chloro-3-(trifluoromethyl)pyridine
CID 589833
(6-Chloropyridin-3-yl)methanol
CID 177161
(2-Chloropyridin-3-yl)methanol
CID 2763647
2-(6-Chloropyridin-3-yl)acetic acid
CID 14071571
2-Chloro-4-(trifluoromethyl)pyridine
CID 144958
2-Chloro-5-(difluoromethyl)pyridine
CID 23053241

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol (CID 118639127) is 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol is OCC(F)(F)c1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The InChIKey is OQQOZZSGUMKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-6-2-1-5(3-11-6)7(9,10)4-12/h1-3,12H,4H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
2-(6-chloro-3-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-(6-chloro-3-pyridinyl)-2,2-difluoroethanol is sourced from PubChem (CID 118639127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).