(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate

C7H8BrN3O2 — CID 175311143

IUPAC(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate
SMILESNCC(=O)Oc1cnc(Br)cc1N
InChIInChI=1S/C7H8BrN3O2/c8-6-1-4(10)5(3-11-6)13-7(12)2-9/h1,3H,2,9H2,(H2,10,11)
InChIKeyOPNSHFVCGJCCFZ-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.29
Rot. Bonds2

About (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate

(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate (PubChem CID 175311143) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate.

Molecular Properties

Compound Name(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate
PubChem CID175311143
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate
SMILESNCC(=O)Oc1cnc(Br)cc1N
InChIInChI=1S/C7H8BrN3O2/c8-6-1-4(10)5(3-11-6)13-7(12)2-9/h1,3H,2,9H2,(H2,10,11)
InChIKeyOPNSHFVCGJCCFZ-UHFFFAOYSA-N
XLogP0.29
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate 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

5-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
CID 10060316
5-[[(2R)-azetidin-2-yl]methoxy]-2-bromopyridine
CID 21345193
3-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
CID 10586289
3-Bromo-5-methoxypyridin-4-amine
CID 84671199
3-Pyridinol, 6-bromo-, 3-acetate
CID 22451584
2-Bromo-3-methoxypyridin-4-amine
CID 24206446
7-bromo-1H,2H,3H-pyrido[3,4-b][1,4]oxazine
CID 86688482
2-Bromo-5-methoxypyridin-4-amine
CID 118851337
2-Bromopyridin-3-yl acetate
CID 15471896
5-Acetoxy-2-bromomethylpyridine
CID 119085655
5-(Azetidin-3-yloxy)-2-bromo-pyridine trifluoro-acetic acid salt
CID 86645086
tert-butyl N-[2-bromo-5-(2,2,2-trifluoroethoxy)-4-pyridinyl]carbamate
CID 170730662

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate?
The IUPAC name of (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate (CID 175311143) is (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate.
What is the SMILES notation for (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate?
The canonical SMILES for (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate is NCC(=O)Oc1cnc(Br)cc1N.
What is the InChIKey of (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate?
The InChIKey is OPNSHFVCGJCCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-6-1-4(10)5(3-11-6)13-7(12)2-9/h1,3H,2,9H2,(H2,10,11).
What are the key properties of (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate?
(4-amino-6-bromo-3-pyridinyl) 2-aminoacetate has a molecular weight of 246.06 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-bromo-3-pyridinyl) 2-aminoacetate is sourced from PubChem (CID 175311143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).