methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate

C14H21NO4 — CID 114938482

IUPACmethyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
SMILESCCCCC(C(=O)OC)C(O)c1ccc(OC)nc1
InChIInChI=1S/C14H21NO4/c1-4-5-6-11(14(17)19-3)13(16)10-7-8-12(18-2)15-9-10/h7-9,11,13,16H,4-6H2,1-3H3
InChIKeyPSYZUAVNRHUABY-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.10
Rot. Bonds7

About methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate

methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate (PubChem CID 114938482) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
PubChem CID114938482
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
SMILESCCCCC(C(=O)OC)C(O)c1ccc(OC)nc1
InChIInChI=1S/C14H21NO4/c1-4-5-6-11(14(17)19-3)13(16)10-7-8-12(18-2)15-9-10/h7-9,11,13,16H,4-6H2,1-3H3
InChIKeyPSYZUAVNRHUABY-UHFFFAOYSA-N
XLogP2.10
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
CID 171882826
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate?
The IUPAC name of methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate (CID 114938482) is methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate.
What is the SMILES notation for methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate?
The canonical SMILES for methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate is CCCCC(C(=O)OC)C(O)c1ccc(OC)nc1.
What is the InChIKey of methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate?
The InChIKey is PSYZUAVNRHUABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-5-6-11(14(17)19-3)13(16)10-7-8-12(18-2)15-9-10/h7-9,11,13,16H,4-6H2,1-3H3.
What are the key properties of methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate?
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate has a molecular weight of 267.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate is sourced from PubChem (CID 114938482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).