(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate

C8H9BrN2O2 — CID 174663207

IUPAC(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(N)c(Br)cc1C
InChIInChI=1S/C8H9BrN2O2/c1-4-3-6(9)7(10)11-8(4)13-5(2)12/h3H,1-2H3,(H2,10,11)
InChIKeyDXZRNKRQSZMEAC-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.66
Rot. Bonds1

About (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate

(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate (PubChem CID 174663207) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate.

Molecular Properties

Compound Name(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate
PubChem CID174663207
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(N)c(Br)cc1C
InChIInChI=1S/C8H9BrN2O2/c1-4-3-6(9)7(10)11-8(4)13-5(2)12/h3H,1-2H3,(H2,10,11)
InChIKeyDXZRNKRQSZMEAC-UHFFFAOYSA-N
XLogP1.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate 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-hydroxy-3-methyl-2-pyridinyl) acetate
CID 175828431
(5-amino-4-bromo-1H-pyrazol-3-yl) acetate
CID 174780000
(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate
CID 174673092
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402
1-(6-amino-5-bromopyridazin-3-yl)ethanone
CID 163887627
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
(4-amino-2,3,6-trimethylphenyl) acetate
CID 87545490
(3-bromo-2,6-dimethylphenyl) acetate
CID 154301591
(3-amino-2,4,6-trimethylphenyl) acetate
CID 10797860
(3-amino-4-methylphenyl) acetate
CID 66838768
[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate
CID 91375942
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate?
The IUPAC name of (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate (CID 174663207) is (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate.
What is the SMILES notation for (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate?
The canonical SMILES for (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate is CC(=O)Oc1nc(N)c(Br)cc1C.
What is the InChIKey of (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate?
The InChIKey is DXZRNKRQSZMEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-3-6(9)7(10)11-8(4)13-5(2)12/h3H,1-2H3,(H2,10,11).
What are the key properties of (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate?
(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate has a molecular weight of 245.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-bromo-3-methyl-2-pyridinyl) acetate is sourced from PubChem (CID 174663207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).