2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid

C10H12ClN3O3 — CID 103102785

IUPAC2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
SMILESCCN(CC(N)=O)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-2-14(5-8(12)15)9-6(10(16)17)3-4-7(11)13-9/h3-4H,2,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyADBBZGVHFCOBOA-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.74
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid

2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid (PubChem CID 103102785) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
PubChem CID103102785
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
SMILESCCN(CC(N)=O)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-2-14(5-8(12)15)9-6(10(16)17)3-4-7(11)13-9/h3-4H,2,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyADBBZGVHFCOBOA-UHFFFAOYSA-N
XLogP0.74
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55183616
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
CID 103103685
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid (CID 103102785) is 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid is CCN(CC(N)=O)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid?
The InChIKey is ADBBZGVHFCOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-2-14(5-8(12)15)9-6(10(16)17)3-4-7(11)13-9/h3-4H,2,5H2,1H3,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid?
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid has a molecular weight of 257.68 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 103102785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).