[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine

C12H17ClN2O2 — CID 55058525

IUPAC[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(OCC2CCCCO2)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c13-10-4-5-12(15-11(10)7-14)17-8-9-3-1-2-6-16-9/h4-5,9H,1-3,6-8,14H2
InChIKeySPQJOEGAISYGOM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.14
Rot. Bonds4

About [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine

[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine (PubChem CID 55058525) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
PubChem CID55058525
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(OCC2CCCCO2)ccc1Cl
InChIInChI=1S/C12H17ClN2O2/c13-10-4-5-12(15-11(10)7-14)17-8-9-3-1-2-6-16-9/h4-5,9H,1-3,6-8,14H2
InChIKeySPQJOEGAISYGOM-UHFFFAOYSA-N
XLogP2.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
6-(oxan-2-ylmethoxy)pyridine-2-carboxylic acid
CID 53256658
[6-(oxolan-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61255499
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
[6-methyl-2-(oxan-2-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542496
6-(oxan-2-ylmethoxy)-N-propylpyridin-2-amine
CID 80859693

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine (CID 55058525) is [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine is NCc1nc(OCC2CCCCO2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine?
The InChIKey is SPQJOEGAISYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c13-10-4-5-12(15-11(10)7-14)17-8-9-3-1-2-6-16-9/h4-5,9H,1-3,6-8,14H2.
What are the key properties of [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine?
[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine has a molecular weight of 256.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 55058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).