5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate

C26H26Cl4N6O9 — CID 165093100

IUPAC5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate
SMILESCOC(=O)C(=O)Cl.COC(=O)C(=O)Nc1cnc(C)c(Cl)c1.Cc1ncc(N)cc1Cl.Cc1ncc(NC(=O)C(=O)O)cc1Cl
InChIInChI=1S/C9H9ClN2O3.C8H7ClN2O3.C6H7ClN2.C3H3ClO3/c1-5-7(10)3-6(4-11-5)12-8(13)9(14)15-2;1-4-6(9)2-5(3-10-4)11-7(12)8(13)14;1-4-6(7)2-5(8)3-9-4;1-7-3(6)2(4)5/h3-4H,1-2H3,(H,12,13);2-3H,1H3,(H,11,12)(H,13,14);2-3H,8H2,1H3;1H3
InChIKeyXAWUUMHHRAZGPQ-UHFFFAOYSA-N
MW708.34 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate

5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate (PubChem CID 165093100) has the molecular formula C26H26Cl4N6O9 and a molecular weight of 708.34 g/mol. Its IUPAC name is 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate.

Molecular Properties

Compound Name5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate
PubChem CID165093100
Molecular FormulaC26H26Cl4N6O9
Molecular Weight708.34 g/mol
Exact Mass706.05
IUPAC Name5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate
SMILESCOC(=O)C(=O)Cl.COC(=O)C(=O)Nc1cnc(C)c(Cl)c1.Cc1ncc(N)cc1Cl.Cc1ncc(NC(=O)C(=O)O)cc1Cl
InChIInChI=1S/C9H9ClN2O3.C8H7ClN2O3.C6H7ClN2.C3H3ClO3/c1-5-7(10)3-6(4-11-5)12-8(13)9(14)15-2;1-4-6(9)2-5(3-10-4)11-7(12)8(13)14;1-4-6(7)2-5(8)3-9-4;1-7-3(6)2(4)5/h3-4H,1-2H3,(H,12,13);2-3H,1H3,(H,11,12)(H,13,14);2-3H,8H2,1H3;1H3
InChIKeyXAWUUMHHRAZGPQ-UHFFFAOYSA-N
XLogP3.77
TPSA229.86 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.34
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;2,2,2-trifluoroethyl 2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetate
CID 165060352
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164751259
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
5-amino-3-chloropyridine-2-carboxylic acid
CID 71651238
ethyl 2-[[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoacetate
CID 11177946
1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 166286412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate?
The IUPAC name of 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate (CID 165093100) is 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate.
What is the SMILES notation for 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate?
The canonical SMILES for 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate is COC(=O)C(=O)Cl.COC(=O)C(=O)Nc1cnc(C)c(Cl)c1.Cc1ncc(N)cc1Cl.Cc1ncc(NC(=O)C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate?
The InChIKey is XAWUUMHHRAZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3.C8H7ClN2O3.C6H7ClN2.C3H3ClO3/c1-5-7(10)3-6(4-11-5)12-8(13)9(14)15-2;1-4-6(9)2-5(3-10-4)11-7(12)8(13)14;1-4-6(7)2-5(8)3-9-4;1-7-3(6)2(4)5/h3-4H,1-2H3,(H,12,13);2-3H,1H3,(H,11,12)(H,13,14);2-3H,8H2,1H3;1H3.
What are the key properties of 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate?
5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate has a molecular weight of 708.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylpyridin-3-amine;2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;methyl 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetate;methyl 2-chloro-2-oxoacetate is sourced from PubChem (CID 165093100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).