3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol

C12H17NO3 — CID 106471082

IUPAC3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
SMILESCOc1ncccc1CC1COCCC1O
InChIInChI=1S/C12H17NO3/c1-15-12-9(3-2-5-13-12)7-10-8-16-6-4-11(10)14/h2-3,5,10-11,14H,4,6-8H2,1H3
InChIKeyIOXYNYXZTJSVIS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.03
Rot. Bonds3

About 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol

3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol (PubChem CID 106471082) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
PubChem CID106471082
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
SMILESCOc1ncccc1CC1COCCC1O
InChIInChI=1S/C12H17NO3/c1-15-12-9(3-2-5-13-12)7-10-8-16-6-4-11(10)14/h2-3,5,10-11,14H,4,6-8H2,1H3
InChIKeyIOXYNYXZTJSVIS-UHFFFAOYSA-N
XLogP1.03
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(quinolin-8-ylmethyl)oxan-4-ol
CID 106471188
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
tert-butyl 4-hydroxy-3-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxylate
CID 104928493
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 113260159
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83100593
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol (CID 106471082) is 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol is COc1ncccc1CC1COCCC1O.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol?
The InChIKey is IOXYNYXZTJSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12-9(3-2-5-13-12)7-10-8-16-6-4-11(10)14/h2-3,5,10-11,14H,4,6-8H2,1H3.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol?
3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol has a molecular weight of 223.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol is sourced from PubChem (CID 106471082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).