[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine

C11H15ClN2O2 — CID 114928548

IUPAC[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OCC2CCOC2)ncc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-5-14-11(3-9(10)4-13)16-7-8-1-2-15-6-8/h3,5,8H,1-2,4,6-7,13H2
InChIKeyFRPWAJRGCCKOOK-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.61
Rot. Bonds4

About [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine

[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine (PubChem CID 114928548) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
PubChem CID114928548
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OCC2CCOC2)ncc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-5-14-11(3-9(10)4-13)16-7-8-1-2-15-6-8/h3,5,8H,1-2,4,6-7,13H2
InChIKeyFRPWAJRGCCKOOK-UHFFFAOYSA-N
XLogP1.61
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(cyclopentylmethoxy)-4-pyridinyl]methanamine
CID 114928866
N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928546
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
CID 68633908
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542654
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382055

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine (CID 114928548) is [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine is NCc1cc(OCC2CCOC2)ncc1Cl.
What is the InChIKey of [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine?
The InChIKey is FRPWAJRGCCKOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-5-14-11(3-9(10)4-13)16-7-8-1-2-15-6-8/h3,5,8H,1-2,4,6-7,13H2.
What are the key properties of [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine?
[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine has a molecular weight of 242.71 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 114928548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).