1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol

C13H10Cl3NO — CID 105088030

IUPAC1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-10-2-1-8(5-11(10)15)6-13(18)9-3-4-17-7-12(9)16/h1-5,7,13,18H,6H2
InChIKeyGSBAKZPMZGRJCQ-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.32
Rot. Bonds3

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

1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 105088030) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID105088030
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-10-2-1-8(5-11(10)15)6-13(18)9-3-4-17-7-12(9)16/h1-5,7,13,18H,6H2
InChIKeyGSBAKZPMZGRJCQ-UHFFFAOYSA-N
XLogP4.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066235
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
[2-(3,4-dichlorophenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105210863
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol (CID 105088030) is 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is GSBAKZPMZGRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-10-2-1-8(5-11(10)15)6-13(18)9-3-4-17-7-12(9)16/h1-5,7,13,18H,6H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol?
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 302.59 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 105088030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).