(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid

C11H15BrN2O2 — CID 87063962

IUPAC(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(C(=O)O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)7-14(10(15)16)9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyIYNIDEGMZBAVIM-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.37
Rot. Bonds2

About (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid

(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid (PubChem CID 87063962) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
PubChem CID87063962
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(C(=O)O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)7-14(10(15)16)9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyIYNIDEGMZBAVIM-UHFFFAOYSA-N
XLogP3.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid 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 (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid (CID 87063962) is (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(C(=O)O)c1cccc(Br)n1.
What is the InChIKey of (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid?
The InChIKey is IYNIDEGMZBAVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)7-14(10(15)16)9-6-4-5-8(12)13-9/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid?
(6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid has a molecular weight of 287.16 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 87063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).