4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine

C14H18ClNO2 — CID 21221238

IUPAC4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine
SMILESCOc1cnc(CCl)cc1OC1CC2CCC1C2
InChIInChI=1S/C14H18ClNO2/c1-17-14-8-16-11(7-15)6-13(14)18-12-5-9-2-3-10(12)4-9/h6,8-10,12H,2-5,7H2,1H3
InChIKeyIZGDYEUPMOUSAX-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.40
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine

4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine (PubChem CID 21221238) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine
PubChem CID21221238
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine
SMILESCOc1cnc(CCl)cc1OC1CC2CCC1C2
InChIInChI=1S/C14H18ClNO2/c1-17-14-8-16-11(7-15)6-13(14)18-12-5-9-2-3-10(12)4-9/h6,8-10,12H,2-5,7H2,1H3
InChIKeyIZGDYEUPMOUSAX-UHFFFAOYSA-N
XLogP3.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine (CID 21221238) is 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine is COc1cnc(CCl)cc1OC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine?
The InChIKey is IZGDYEUPMOUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-17-14-8-16-11(7-15)6-13(14)18-12-5-9-2-3-10(12)4-9/h6,8-10,12H,2-5,7H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine?
4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine has a molecular weight of 267.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine is sourced from PubChem (CID 21221238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).