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

C7H6ClF2NO — CID 173304112

IUPAC1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOC(c1cncc(Cl)c1)C(F)F
InChIInChI=1S/C7H6ClF2NO/c8-5-1-4(2-11-3-5)6(12)7(9)10/h1-3,6-7,12H
InChIKeyPNINKARFUMCDGW-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.03
Rot. Bonds2

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

1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol (PubChem CID 173304112) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol
PubChem CID173304112
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOC(c1cncc(Cl)c1)C(F)F
InChIInChI=1S/C7H6ClF2NO/c8-5-1-4(2-11-3-5)6(12)7(9)10/h1-3,6-7,12H
InChIKeyPNINKARFUMCDGW-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-difluoroethanol?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol (CID 173304112) is 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol is OC(c1cncc(Cl)c1)C(F)F.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol?
The InChIKey is PNINKARFUMCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-5-1-4(2-11-3-5)6(12)7(9)10/h1-3,6-7,12H.
What are the key properties of 1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol?
1-(5-chloro-3-pyridinyl)-2,2-difluoroethanol has a molecular weight of 193.58 g/mol, XLogP of 2.03, 2 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-difluoroethanol is sourced from PubChem (CID 173304112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).