4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine

C14H14Cl2N2 — CID 173417811

IUPAC4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine
SMILESClCCc1ccnc(-c2cc(CCCl)ccn2)c1
InChIInChI=1S/C14H14Cl2N2/c15-5-1-11-3-7-17-13(9-11)14-10-12(2-6-16)4-8-18-14/h3-4,7-10H,1-2,5-6H2
InChIKeySOSWCJVJIDAXTH-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.71
Rot. Bonds5

About 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine

4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine (PubChem CID 173417811) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine
PubChem CID173417811
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine
SMILESClCCc1ccnc(-c2cc(CCCl)ccn2)c1
InChIInChI=1S/C14H14Cl2N2/c15-5-1-11-3-7-17-13(9-11)14-10-12(2-6-16)4-8-18-14/h3-4,7-10H,1-2,5-6H2
InChIKeySOSWCJVJIDAXTH-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine (CID 173417811) is 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine is ClCCc1ccnc(-c2cc(CCCl)ccn2)c1.
What is the InChIKey of 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine?
The InChIKey is SOSWCJVJIDAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-5-1-11-3-7-17-13(9-11)14-10-12(2-6-16)4-8-18-14/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine?
4-(2-chloroethyl)-2-[4-(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 4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 173417811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).