4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine

C14H17Cl2N — CID 112655850

IUPAC4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine
SMILESClc1cnccc1CC(Cl)C1CC2CCC1C2
InChIInChI=1S/C14H17Cl2N/c15-13(7-11-3-4-17-8-14(11)16)12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7H2
InChIKeyLRQVEUCWQAPIBD-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.32
Rot. Bonds3

About 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine

4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine (PubChem CID 112655850) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine
PubChem CID112655850
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine
SMILESClc1cnccc1CC(Cl)C1CC2CCC1C2
InChIInChI=1S/C14H17Cl2N/c15-13(7-11-3-4-17-8-14(11)16)12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7H2
InChIKeyLRQVEUCWQAPIBD-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
CID 112655937
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
2-[1-chloro-2-(3-chloro-4-pyridinyl)ethyl]thiane 1,1-dioxide
CID 113422574
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
CID 79839141
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986580
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
4-[2-bromo-2-(oxan-2-yl)ethyl]-3-chloropyridine
CID 112656195

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine?
The IUPAC name of 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine (CID 112655850) is 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine.
What is the SMILES notation for 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine?
The canonical SMILES for 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine is Clc1cnccc1CC(Cl)C1CC2CCC1C2.
What is the InChIKey of 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine?
The InChIKey is LRQVEUCWQAPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-13(7-11-3-4-17-8-14(11)16)12-6-9-1-2-10(12)5-9/h3-4,8-10,12-13H,1-2,5-7H2.
What are the key properties of 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine?
4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine has a molecular weight of 270.20 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine is sourced from PubChem (CID 112655850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).