[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid

C13H16BN3O3 — CID 164859913

IUPAC[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
SMILESCc1cccnc1C(C)Oc1cc(B(O)O)cnc1N
InChIInChI=1S/C13H16BN3O3/c1-8-4-3-5-16-12(8)9(2)20-11-6-10(14(18)19)7-17-13(11)15/h3-7,9,18-19H,1-2H3,(H2,15,17)
InChIKeyPDVKUZSLEFDIPJ-UHFFFAOYSA-N
MW273.10 g/mol
LogP0.19
Rot. Bonds4

About [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid

[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid (PubChem CID 164859913) has the molecular formula C13H16BN3O3 and a molecular weight of 273.10 g/mol. Its IUPAC name is [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
PubChem CID164859913
Molecular FormulaC13H16BN3O3
Molecular Weight273.10 g/mol
Exact Mass273.13
IUPAC Name[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
SMILESCc1cccnc1C(C)Oc1cc(B(O)O)cnc1N
InChIInChI=1S/C13H16BN3O3/c1-8-4-3-5-16-12(8)9(2)20-11-6-10(14(18)19)7-17-13(11)15/h3-7,9,18-19H,1-2H3,(H2,15,17)
InChIKeyPDVKUZSLEFDIPJ-UHFFFAOYSA-N
XLogP0.19
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[6-amino-5-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
CID 164859391
[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
CID 164859066
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
methoxymethane;3-methylpyridin-2-amine
CID 142348172
3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
CID 141396970
[6-amino-5-(3-methylphenyl)-3-pyridinyl]boronic acid
CID 164858834
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
CID 91983969
CID 91983969
3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
CID 129390734
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
CID 143190230

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid (CID 164859913) is [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid is Cc1cccnc1C(C)Oc1cc(B(O)O)cnc1N.
What is the InChIKey of [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid?
The InChIKey is PDVKUZSLEFDIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BN3O3/c1-8-4-3-5-16-12(8)9(2)20-11-6-10(14(18)19)7-17-13(11)15/h3-7,9,18-19H,1-2H3,(H2,15,17).
What are the key properties of [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid?
[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid has a molecular weight of 273.10 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 164859913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).