(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate

C16H20N2O3 — CID 67488057

IUPAC(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cccc(C)n1.Cc1cccc(CO)n1
InChIInChI=1S/C9H11NO2.C7H9NO/c1-7-4-3-5-9(10-7)6-12-8(2)11;1-6-3-2-4-7(5-9)8-6/h3-5H,6H2,1-2H3;2-4,9H,5H2,1H3
InChIKeySHJXFWOLVQSHRF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds3

About (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate

(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate (PubChem CID 67488057) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
PubChem CID67488057
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1cccc(C)n1.Cc1cccc(CO)n1
InChIInChI=1S/C9H11NO2.C7H9NO/c1-7-4-3-5-9(10-7)6-12-8(2)11;1-6-3-2-4-7(5-9)8-6/h3-5H,6H2,1-2H3;2-4,9H,5H2,1H3
InChIKeySHJXFWOLVQSHRF-UHFFFAOYSA-N
XLogP2.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
CID 158673964
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
(6-methyl-2-pyridinyl)methyl 3-(4-aminophenyl)propanoate
CID 79260623
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
(6-methyl-2-pyridinyl)methyl 2-(2-aminophenoxy)acetate
CID 79261578
3-methyl-2-[(6-methyl-2-pyridinyl)methoxycarbonylamino]butanoic acid
CID 18939663
(6-methyl-2-pyridinyl)methyl 3-(4-aminophenoxy)propanoate
CID 79263644

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate?
The IUPAC name of (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate (CID 67488057) is (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate.
What is the SMILES notation for (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate?
The canonical SMILES for (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate is CC(=O)OCc1cccc(C)n1.Cc1cccc(CO)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate?
The InChIKey is SHJXFWOLVQSHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C7H9NO/c1-7-4-3-5-9(10-7)6-12-8(2)11;1-6-3-2-4-7(5-9)8-6/h3-5H,6H2,1-2H3;2-4,9H,5H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate?
(6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate has a molecular weight of 288.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methanol;(6-methyl-2-pyridinyl)methyl acetate is sourced from PubChem (CID 67488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).