2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol

C14H13Cl2NO — CID 81319833

IUPAC2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H13Cl2NO/c1-9-2-5-13(17-8-9)14(18)7-10-3-4-11(15)12(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyRMMJBBGKYHTJSU-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.97
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol

2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol (PubChem CID 81319833) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
PubChem CID81319833
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H13Cl2NO/c1-9-2-5-13(17-8-9)14(18)7-10-3-4-11(15)12(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyRMMJBBGKYHTJSU-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanol
CID 114012664
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(methylamino)-1-(5-methyl-2-pyridinyl)ethanol
CID 82597132
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol (CID 81319833) is 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is RMMJBBGKYHTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-2-5-13(17-8-9)14(18)7-10-3-4-11(15)12(16)6-10/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol?
2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 282.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 81319833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).