6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium

C11H14BClNO2Y- — CID 169024640

IUPAC6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium
SMILESCC1(C)OB(c2c[c-]nc(Cl)c2)OC1(C)C.[Y]
InChIInChI=1S/C11H14BClNO2.Y/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;/h5,7H,1-4H3;/q-1;
InChIKeyQYYSDGPBSXLBGL-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.83
Rot. Bonds1

About 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium

6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 169024640) has the molecular formula C11H14BClNO2Y- and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium
PubChem CID169024640
Molecular FormulaC11H14BClNO2Y-
Molecular Weight327.41 g/mol
Exact Mass326.99
IUPAC Name6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium
SMILESCC1(C)OB(c2c[c-]nc(Cl)c2)OC1(C)C.[Y]
InChIInChI=1S/C11H14BClNO2.Y/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;/h5,7H,1-4H3;/q-1;
InChIKeyQYYSDGPBSXLBGL-UHFFFAOYSA-N
XLogP1.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-ol
CID 162688204
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911
6-chloro-N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 87180480
4,4,5,5-tetramethyl-2-(2,3,5,6-tetrachlorophenyl)-1,3,2-dioxaborolane
CID 79661640
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CID 57416415
2,5-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755157
molecular hydrogen;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 176565581
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-[1,3-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)azulen-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101492052
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 53216799
2-chloro-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 140668705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium (CID 169024640) is 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium is CC1(C)OB(c2c[c-]nc(Cl)c2)OC1(C)C.[Y].
What is the InChIKey of 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is QYYSDGPBSXLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BClNO2.Y/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;/h5,7H,1-4H3;/q-1;.
What are the key properties of 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium?
6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium has a molecular weight of 327.41 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 169024640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).