2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid

C10H11BrN2O4 — CID 107517184

IUPAC2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ncccc1Br
InChIInChI=1S/C10H11BrN2O4/c11-7-2-1-3-12-9(7)10(16)13-4-5-17-6-8(14)15/h1-3H,4-6H2,(H,13,16)(H,14,15)
InChIKeyZPRPPTAKDBBXBO-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.68
Rot. Bonds6

About 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid

2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid (PubChem CID 107517184) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
PubChem CID107517184
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ncccc1Br
InChIInChI=1S/C10H11BrN2O4/c11-7-2-1-3-12-9(7)10(16)13-4-5-17-6-8(14)15/h1-3H,4-6H2,(H,13,16)(H,14,15)
InChIKeyZPRPPTAKDBBXBO-UHFFFAOYSA-N
XLogP0.68
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid (CID 107517184) is 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1ncccc1Br.
What is the InChIKey of 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is ZPRPPTAKDBBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-7-2-1-3-12-9(7)10(16)13-4-5-17-6-8(14)15/h1-3H,4-6H2,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 303.11 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 107517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).