3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine

C14H14Cl2N2 — CID 177289121

IUPAC3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
SMILESClCCc1cccnc1-c1ncccc1CCCl
InChIInChI=1S/C14H14Cl2N2/c15-7-5-11-3-1-9-17-13(11)14-12(6-8-16)4-2-10-18-14/h1-4,9-10H,5-8H2
InChIKeyPAPRHZLXISEBEV-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine

3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine (PubChem CID 177289121) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
PubChem CID177289121
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
SMILESClCCc1cccnc1-c1ncccc1CCCl
InChIInChI=1S/C14H14Cl2N2/c15-7-5-11-3-1-9-17-13(11)14-12(6-8-16)4-2-10-18-14/h1-4,9-10H,5-8H2
InChIKeyPAPRHZLXISEBEV-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(sulfanylmethyl)-2-pyridinyl]-3-pyridinyl]methanethiol
CID 118077379
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
CID 102306107
3-(3-chloropropyl)-2-methylpyridine
CID 86128501
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
3-(2-cyclohexylethyl)-2-[3-(2-cyclohexylethyl)-2-pyridinyl]pyridine
CID 102306108
2,3-bis(chloromethyl)pyridine
CID 14518750
6-(2-chloroethyl)quinoline
CID 53404433
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
3-(chloromethyl)-2-fluoropyridine
CID 22641304
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde
CID 142200522
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
CID 69044074

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine (CID 177289121) is 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine is ClCCc1cccnc1-c1ncccc1CCCl.
What is the InChIKey of 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine?
The InChIKey is PAPRHZLXISEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-7-5-11-3-1-9-17-13(11)14-12(6-8-16)4-2-10-18-14/h1-4,9-10H,5-8H2.
What are the key properties of 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine?
3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine has a molecular weight of 281.19 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 177289121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).