methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate

C9H11BrN2O2 — CID 130830671

IUPACmethyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
SMILESCCNc1ncc(Br)cc1C(=O)OC
InChIInChI=1S/C9H11BrN2O2/c1-3-11-8-7(9(13)14-2)4-6(10)5-12-8/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyCMIFXOIEPYQKMY-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.06
Rot. Bonds3

About methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate

methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate (PubChem CID 130830671) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
PubChem CID130830671
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Namemethyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
SMILESCCNc1ncc(Br)cc1C(=O)OC
InChIInChI=1S/C9H11BrN2O2/c1-3-11-8-7(9(13)14-2)4-6(10)5-12-8/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyCMIFXOIEPYQKMY-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate 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-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
5-bromo-2-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81075105
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62168618
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
5-bromo-2-(ethylamino)-N-(5-hydroxypentyl)-N-methylpyridine-3-carboxamide
CID 107201170
methyl 5-bromo-2-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methylamino]pyridine-3-carboxylate
CID 167804020
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
methyl 5-bromo-2-propan-2-ylpyridine-3-carboxylate
CID 131443087
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate (CID 130830671) is methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate is CCNc1ncc(Br)cc1C(=O)OC.
What is the InChIKey of methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate?
The InChIKey is CMIFXOIEPYQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-3-11-8-7(9(13)14-2)4-6(10)5-12-8/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate?
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate has a molecular weight of 259.10 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 130830671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).