3-chloro-5-ethyl-2-propan-2-yloxypyridine

C10H14ClNO — CID 90064685

IUPAC3-chloro-5-ethyl-2-propan-2-yloxypyridine
SMILESCCc1cnc(OC(C)C)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-4-8-5-9(11)10(12-6-8)13-7(2)3/h5-7H,4H2,1-3H3
InChIKeyDVAYDNCVPAOFSE-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.08
Rot. Bonds3

About 3-chloro-5-ethyl-2-propan-2-yloxypyridine

3-chloro-5-ethyl-2-propan-2-yloxypyridine (PubChem CID 90064685) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-chloro-5-ethyl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-chloro-5-ethyl-2-propan-2-yloxypyridine
PubChem CID90064685
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-chloro-5-ethyl-2-propan-2-yloxypyridine
SMILESCCc1cnc(OC(C)C)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-4-8-5-9(11)10(12-6-8)13-7(2)3/h5-7H,4H2,1-3H3
InChIKeyDVAYDNCVPAOFSE-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-ethyl-2-propan-2-yloxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-2-propan-2-yloxypyridine?
The IUPAC name of 3-chloro-5-ethyl-2-propan-2-yloxypyridine (CID 90064685) is 3-chloro-5-ethyl-2-propan-2-yloxypyridine.
What is the SMILES notation for 3-chloro-5-ethyl-2-propan-2-yloxypyridine?
The canonical SMILES for 3-chloro-5-ethyl-2-propan-2-yloxypyridine is CCc1cnc(OC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-ethyl-2-propan-2-yloxypyridine?
The InChIKey is DVAYDNCVPAOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-4-8-5-9(11)10(12-6-8)13-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 3-chloro-5-ethyl-2-propan-2-yloxypyridine?
3-chloro-5-ethyl-2-propan-2-yloxypyridine has a molecular weight of 199.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-2-propan-2-yloxypyridine is sourced from PubChem (CID 90064685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).