2-methyl-1-pyridin-2-yloxypropan-2-ol

C9H13NO2 — CID 89434781

IUPAC2-methyl-1-pyridin-2-yloxypropan-2-ol
SMILESCC(C)(O)COc1ccccn1
InChIInChI=1S/C9H13NO2/c1-9(2,11)7-12-8-5-3-4-6-10-8/h3-6,11H,7H2,1-2H3
InChIKeyBCVSCOKKEXROPC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-1-pyridin-2-yloxypropan-2-ol

2-methyl-1-pyridin-2-yloxypropan-2-ol (PubChem CID 89434781) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-1-pyridin-2-yloxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-pyridin-2-yloxypropan-2-ol
PubChem CID89434781
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-methyl-1-pyridin-2-yloxypropan-2-ol
SMILESCC(C)(O)COc1ccccn1
InChIInChI=1S/C9H13NO2/c1-9(2,11)7-12-8-5-3-4-6-10-8/h3-6,11H,7H2,1-2H3
InChIKeyBCVSCOKKEXROPC-UHFFFAOYSA-N
XLogP1.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-pyridin-2-yloxypropan-2-amine
CID 51684261
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418
1-[(5-amino-2-pyridinyl)oxy]-2-methylpropan-2-ol;ethane
CID 143919446
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
2-pyridin-2-yloxypropane-2-thiol
CID 123837409
1-[[5-(aminomethyl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
CID 67042824
2-methyl-2-pyridin-2-yloxypropan-1-amine
CID 117051394
2-methoxypyridine
CID 71774587
[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
CID 175372429
methyl 2-pyridin-2-yloxyacetate
CID 45091085
2-methoxypyridine;hydrobromide
CID 157413143
2-butoxypyridine;carbonic acid
CID 159061563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-2-yloxypropan-2-ol?
The IUPAC name of 2-methyl-1-pyridin-2-yloxypropan-2-ol (CID 89434781) is 2-methyl-1-pyridin-2-yloxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-pyridin-2-yloxypropan-2-ol?
The canonical SMILES for 2-methyl-1-pyridin-2-yloxypropan-2-ol is CC(C)(O)COc1ccccn1.
What is the InChIKey of 2-methyl-1-pyridin-2-yloxypropan-2-ol?
The InChIKey is BCVSCOKKEXROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,11)7-12-8-5-3-4-6-10-8/h3-6,11H,7H2,1-2H3.
What are the key properties of 2-methyl-1-pyridin-2-yloxypropan-2-ol?
2-methyl-1-pyridin-2-yloxypropan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-2-yloxypropan-2-ol is sourced from PubChem (CID 89434781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).