2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol

C13H10Cl2FNO — CID 114012664

IUPAC2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2
InChIKeyFDXZXJVPTCYFEC-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol (PubChem CID 114012664) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
PubChem CID114012664
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2
InChIKeyFDXZXJVPTCYFEC-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 107883575
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 82920135
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319833
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
2-(4-chloro-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 107884317
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol (CID 114012664) is 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol is OC(Cc1ccc(Cl)c(F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol?
The InChIKey is FDXZXJVPTCYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-2-4-12(17-7-9)13(18)6-8-1-3-10(15)11(16)5-8/h1-5,7,13,18H,6H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol has a molecular weight of 286.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 114012664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).