3-Chloro-5-methyl-2-propoxypyridine

C9H12ClNO — CID 58571259

IUPAC3-chloro-5-methyl-2-propoxypyridine
SMILESCCCOC1=C(C=C(C=N1)C)Cl
InChIInChI=1S/C9H12ClNO/c1-3-4-12-9-8(10)5-7(2)6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyBZTHPZBWRGKZPM-UHFFFAOYSA-N
MW185.65 g/mol
LogP3.00
Rot. Bonds3

About 3-Chloro-5-methyl-2-propoxypyridine

3-Chloro-5-methyl-2-propoxypyridine (PubChem CID 58571259) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-propoxypyridine.

Molecular Properties

Compound Name3-Chloro-5-methyl-2-propoxypyridine
PubChem CID58571259
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-chloro-5-methyl-2-propoxypyridine
SMILESCCCOC1=C(C=C(C=N1)C)Cl
InChIInChI=1S/C9H12ClNO/c1-3-4-12-9-8(10)5-7(2)6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyBZTHPZBWRGKZPM-UHFFFAOYSA-N
XLogP3.00
TPSA22.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity132

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Chloro-5-methyl-2-propoxypyridine?
The IUPAC name of 3-Chloro-5-methyl-2-propoxypyridine (CID 58571259) is 3-chloro-5-methyl-2-propoxypyridine.
What is the SMILES notation for 3-Chloro-5-methyl-2-propoxypyridine?
The canonical SMILES for 3-Chloro-5-methyl-2-propoxypyridine is CCCOC1=C(C=C(C=N1)C)Cl.
What is the InChIKey of 3-Chloro-5-methyl-2-propoxypyridine?
The InChIKey is BZTHPZBWRGKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-3-4-12-9-8(10)5-7(2)6-11-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-Chloro-5-methyl-2-propoxypyridine?
3-Chloro-5-methyl-2-propoxypyridine has a molecular weight of 185.65 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Chloro-5-methyl-2-propoxypyridine is sourced from PubChem (CID 58571259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).