2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

C11H16BClN2O2 — CID 43811066

IUPAC2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C
InChIInChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,14H2,1-4H3
InChIKeyOTPWQANCPKJXBK-UHFFFAOYSA-N
MW254.53 g/mol
LogP1.62
Rot. Bonds1

About 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (PubChem CID 43811066) has the molecular formula C11H16BClN2O2 and a molecular weight of 254.53 g/mol. Its IUPAC name is 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
PubChem CID43811066
Molecular FormulaC11H16BClN2O2
Molecular Weight254.53 g/mol
Exact Mass254.10
IUPAC Name2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
SMILESCC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C
InChIInChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,14H2,1-4H3
InChIKeyOTPWQANCPKJXBK-UHFFFAOYSA-N
XLogP1.62
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine (CID 43811066) is 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is CC1(C)OB(c2cnc(Cl)c(N)c2)OC1(C)C.
What is the InChIKey of 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
The InChIKey is OTPWQANCPKJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,14H2,1-4H3.
What are the key properties of 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine?
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine has a molecular weight of 254.53 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine is sourced from PubChem (CID 43811066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).