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

C11H15BN4O3 — CID 164859066

IUPAC[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
SMILESCC(Oc1cc(B(O)O)cnc1N)c1ccnn1C
InChIInChI=1S/C11H15BN4O3/c1-7(9-3-4-15-16(9)2)19-10-5-8(12(17)18)6-14-11(10)13/h3-7,17-18H,1-2H3,(H2,13,14)
InChIKeyZRFCAIYRVNJKDU-UHFFFAOYSA-N
MW262.08 g/mol
LogP-0.78
Rot. Bonds4

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

[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid (PubChem CID 164859066) has the molecular formula C11H15BN4O3 and a molecular weight of 262.08 g/mol. Its IUPAC name is [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
PubChem CID164859066
Molecular FormulaC11H15BN4O3
Molecular Weight262.08 g/mol
Exact Mass262.12
IUPAC Name[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid
SMILESCC(Oc1cc(B(O)O)cnc1N)c1ccnn1C
InChIInChI=1S/C11H15BN4O3/c1-7(9-3-4-15-16(9)2)19-10-5-8(12(17)18)6-14-11(10)13/h3-7,17-18H,1-2H3,(H2,13,14)
InChIKeyZRFCAIYRVNJKDU-UHFFFAOYSA-N
XLogP-0.78
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[6-amino-5-[1-(3-methyl-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
CID 164859913
[6-amino-5-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
CID 164859391
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]pyrimidin-4-yl]-3-[1-(2-methylpyrazol-3-yl)ethoxy]pyridin-2-amine
CID 135188685
3-[[2-[2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
CID 164719260
(3-amino-1-methylpyrazolo[4,3-b]pyridin-6-yl)boronic acid
CID 171809825
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
3-[(1R)-1-(3-aminophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 139506875
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid (CID 164859066) is [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid is CC(Oc1cc(B(O)O)cnc1N)c1ccnn1C.
What is the InChIKey of [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid?
The InChIKey is ZRFCAIYRVNJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN4O3/c1-7(9-3-4-15-16(9)2)19-10-5-8(12(17)18)6-14-11(10)13/h3-7,17-18H,1-2H3,(H2,13,14).
What are the key properties of [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid?
[6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid has a molecular weight of 262.08 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-[1-(2-methylpyrazol-3-yl)ethoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 164859066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).