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

C13H9Cl2F2NO — CID 82920233

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-8-5-9(15)13(18-6-8)12(19)4-7-1-2-10(16)11(17)3-7/h1-3,5-6,12,19H,4H2
InChIKeyLVYBAEUECPJJAS-UHFFFAOYSA-N
MW304.12 g/mol
LogP3.94
Rot. Bonds3

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

1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol (PubChem CID 82920233) 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-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
PubChem CID82920233
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2F2NO/c14-8-5-9(15)13(18-6-8)12(19)4-7-1-2-10(16)11(17)3-7/h1-3,5-6,12,19H,4H2
InChIKeyLVYBAEUECPJJAS-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

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 79780694
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
CID 114012664
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol (CID 82920233) is 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol is OC(Cc1ccc(F)c(F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol?
The InChIKey is LVYBAEUECPJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c14-8-5-9(15)13(18-6-8)12(19)4-7-1-2-10(16)11(17)3-7/h1-3,5-6,12,19H,4H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol?
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-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-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 82920233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).