1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol

C13H9Cl2F2NO — CID 79780281

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2
InChIKeyPFDDNGFUPBTVBR-UHFFFAOYSA-N
MW304.12 g/mol
LogP3.94
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol

1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 79780281) has the molecular formula C13H9Cl2F2NO and a molecular weight of 304.12 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
PubChem CID79780281
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2
InChIKeyPFDDNGFUPBTVBR-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 114852697
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
CID 103216689
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443644
2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol (CID 79780281) is 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is PFDDNGFUPBTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c14-8-4-10(15)13(18-6-8)12(19)3-7-1-2-9(16)5-11(7)17/h1-2,4-6,12,19H,3H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol?
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 304.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 79780281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).