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

C13H9Cl2F2NO — CID 112655781

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H9Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6,13,19H,3H2
InChIKeyJCPZHTQVYQPTMZ-UHFFFAOYSA-N
MW304.12 g/mol
LogP3.94
Rot. Bonds3

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

1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 112655781) has the molecular formula C13H9Cl2F2NO and a molecular weight of 304.12 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID112655781
Molecular FormulaC13H9Cl2F2NO
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H9Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6,13,19H,3H2
InChIKeyJCPZHTQVYQPTMZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 112655781) is 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol is OC(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is JCPZHTQVYQPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6,13,19H,3H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)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-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 112655781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).