[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid

C10H11BClN3O2 — CID 75485989

IUPAC[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid
SMILESCc1nn(-c2ncccc2Cl)c(C)c1B(O)O
InChIInChI=1S/C10H11BClN3O2/c1-6-9(11(16)17)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5,16-17H,1-2H3
InChIKeyVCLAFYLWXUYNON-UHFFFAOYSA-N
MW251.48 g/mol
LogP0.22
Rot. Bonds2

About [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid

[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid (PubChem CID 75485989) has the molecular formula C10H11BClN3O2 and a molecular weight of 251.48 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid
PubChem CID75485989
Molecular FormulaC10H11BClN3O2
Molecular Weight251.48 g/mol
Exact Mass251.06
IUPAC Name[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid
SMILESCc1nn(-c2ncccc2Cl)c(C)c1B(O)O
InChIInChI=1S/C10H11BClN3O2/c1-6-9(11(16)17)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5,16-17H,1-2H3
InChIKeyVCLAFYLWXUYNON-UHFFFAOYSA-N
XLogP0.22
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
ethyl 3-bromo-1-(3-chloro-2-pyridinyl)-5-methylpyrazole-4-carboxylate
CID 155213094
3,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrazol-4-ol
CID 39096479
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
3-chloro-2-methylpyridine;formaldehyde
CID 175449044
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
3-(3-chloro-2-pyridinyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-one
CID 23042094
3-bromo-4-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141331734
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 62129939
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid?
The IUPAC name of [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid (CID 75485989) is [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid is Cc1nn(-c2ncccc2Cl)c(C)c1B(O)O.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid?
The InChIKey is VCLAFYLWXUYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BClN3O2/c1-6-9(11(16)17)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5,16-17H,1-2H3.
What are the key properties of [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid?
[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid has a molecular weight of 251.48 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid is sourced from PubChem (CID 75485989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).