2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid

C8H6BrClN2O3 — CID 130572192

IUPAC2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN2O3/c9-5-2-11-6(10)1-4(5)8(15)12-3-7(13)14/h1-2H,3H2,(H,12,15)(H,13,14)
InChIKeyGUNKJXPQYPEUAO-UHFFFAOYSA-N
MW293.50 g/mol
LogP1.31
Rot. Bonds3

About 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid

2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid (PubChem CID 130572192) has the molecular formula C8H6BrClN2O3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
PubChem CID130572192
Molecular FormulaC8H6BrClN2O3
Molecular Weight293.50 g/mol
Exact Mass291.93
IUPAC Name2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN2O3/c9-5-2-11-6(10)1-4(5)8(15)12-3-7(13)14/h1-2H,3H2,(H,12,15)(H,13,14)
InChIKeyGUNKJXPQYPEUAO-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
N-acetyl-5-bromo-2-chloropyridine-4-carboxamide
CID 130572297
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
5-bromo-N-but-3-yn-2-yl-2-chloropyridine-4-carboxamide
CID 130572324
3-(5-bromo-2-chloro-4-pyridinyl)-3-oxopropanenitrile
CID 130153554
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 115048925
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
CID 46220750
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid (CID 130572192) is 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cc(Cl)ncc1Br.
What is the InChIKey of 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid?
The InChIKey is GUNKJXPQYPEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2O3/c9-5-2-11-6(10)1-4(5)8(15)12-3-7(13)14/h1-2H,3H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid?
2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid has a molecular weight of 293.50 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chloropyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 130572192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).