2,3,4,5-tetramethylpyridine;hydrate

C9H15NO — CID 175106370

IUPAC2,3,4,5-tetramethylpyridine;hydrate
SMILESCc1cnc(C)c(C)c1C.O
InChIInChI=1S/C9H13N.H2O/c1-6-5-10-9(4)8(3)7(6)2;/h5H,1-4H3;1H2
InChIKeyGKUVYQIXUDSZHM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.49
Rot. Bonds

About 2,3,4,5-tetramethylpyridine;hydrate

2,3,4,5-tetramethylpyridine;hydrate (PubChem CID 175106370) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,3,4,5-tetramethylpyridine;hydrate.

Molecular Properties

Compound Name2,3,4,5-tetramethylpyridine;hydrate
PubChem CID175106370
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,3,4,5-tetramethylpyridine;hydrate
SMILESCc1cnc(C)c(C)c1C.O
InChIInChI=1S/C9H13N.H2O/c1-6-5-10-9(4)8(3)7(6)2;/h5H,1-4H3;1H2
InChIKeyGKUVYQIXUDSZHM-UHFFFAOYSA-N
XLogP1.49
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylpyridine;hydrate?
The IUPAC name of 2,3,4,5-tetramethylpyridine;hydrate (CID 175106370) is 2,3,4,5-tetramethylpyridine;hydrate.
What is the SMILES notation for 2,3,4,5-tetramethylpyridine;hydrate?
The canonical SMILES for 2,3,4,5-tetramethylpyridine;hydrate is Cc1cnc(C)c(C)c1C.O.
What is the InChIKey of 2,3,4,5-tetramethylpyridine;hydrate?
The InChIKey is GKUVYQIXUDSZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.H2O/c1-6-5-10-9(4)8(3)7(6)2;/h5H,1-4H3;1H2.
What are the key properties of 2,3,4,5-tetramethylpyridine;hydrate?
2,3,4,5-tetramethylpyridine;hydrate has a molecular weight of 153.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylpyridine;hydrate is sourced from PubChem (CID 175106370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).