3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine

C13H11Cl2N — CID 70026802

IUPAC3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CCc2cncc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N/c14-12-3-1-2-10(6-12)4-5-11-7-13(15)9-16-8-11/h1-3,6-9H,4-5H2
InChIKeyKHFRPKXTPIYGQI-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.17
Rot. Bonds3

About 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine

3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine (PubChem CID 70026802) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
PubChem CID70026802
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CCc2cncc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2N/c14-12-3-1-2-10(6-12)4-5-11-7-13(15)9-16-8-11/h1-3,6-9H,4-5H2
InChIKeyKHFRPKXTPIYGQI-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-chloro-3-octylbenzene
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5-[(3-chlorophenyl)methyl]pyridine-3-carbaldehyde
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1-chloro-3-propylbenzene;formyl chloride
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3-chloro-5-ethylpyridine;ethane
CID 143545775
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine?
The IUPAC name of 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine (CID 70026802) is 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine?
The canonical SMILES for 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine is Clc1cccc(CCc2cncc(Cl)c2)c1.
What is the InChIKey of 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine?
The InChIKey is KHFRPKXTPIYGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-12-3-1-2-10(6-12)4-5-11-7-13(15)9-16-8-11/h1-3,6-9H,4-5H2.
What are the key properties of 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine?
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine has a molecular weight of 252.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine is sourced from PubChem (CID 70026802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).