[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine

C13H11ClN2O3 — CID 62297582

IUPAC[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc3c(c2)OCO3)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-9-2-4-13(16-10(9)6-15)19-8-1-3-11-12(5-8)18-7-17-11/h1-5H,6-7,15H2
InChIKeyCTLICADXSTVKBQ-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.71
Rot. Bonds3

About [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine

[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine (PubChem CID 62297582) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
PubChem CID62297582
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc3c(c2)OCO3)ccc1Cl
InChIInChI=1S/C13H11ClN2O3/c14-9-2-4-13(16-10(9)6-15)19-8-1-3-11-12(5-8)18-7-17-11/h1-5H,6-7,15H2
InChIKeyCTLICADXSTVKBQ-UHFFFAOYSA-N
XLogP2.71
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
(3-chloro-6-phenoxy-2-pyridinyl)methanamine
CID 62296116
[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
CID 80881241
2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide
CID 18629106
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine?
The IUPAC name of [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine (CID 62297582) is [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine?
The canonical SMILES for [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine is NCc1nc(Oc2ccc3c(c2)OCO3)ccc1Cl.
What is the InChIKey of [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine?
The InChIKey is CTLICADXSTVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-2-4-13(16-10(9)6-15)19-8-1-3-11-12(5-8)18-7-17-11/h1-5H,6-7,15H2.
What are the key properties of [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine?
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine has a molecular weight of 278.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine is sourced from PubChem (CID 62297582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).