2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine

C14H13Cl2NO — CID 70531872

IUPAC2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine
SMILESCOc1cccnc1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(11-6-5-10(15)8-12(11)16)14-13(18-2)4-3-7-17-14/h3-9H,1-2H3
InChIKeyLXXYOGYGWVCZIO-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.55
Rot. Bonds3

About 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine

2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine (PubChem CID 70531872) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine
PubChem CID70531872
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine
SMILESCOc1cccnc1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-9(11-6-5-10(15)8-12(11)16)14-13(18-2)4-3-7-17-14/h3-9H,1-2H3
InChIKeyLXXYOGYGWVCZIO-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dichloromethyl)-3-methoxypyridine
CID 141354456
1-[3-[1-(2,4-dichlorophenyl)ethyl]pyrazin-2-yl]prop-2-yn-1-ol
CID 88662278
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine (CID 70531872) is 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine is COc1cccnc1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine?
The InChIKey is LXXYOGYGWVCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9(11-6-5-10(15)8-12(11)16)14-13(18-2)4-3-7-17-14/h3-9H,1-2H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine?
2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine has a molecular weight of 282.17 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine is sourced from PubChem (CID 70531872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).