2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid

C8H7ClN2O3 — CID 164750475

IUPAC2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
SMILESCc1ncc(NC(=O)C(=O)O)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-4-6(9)2-5(3-10-4)11-7(12)8(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyALTULBDBHJBBTH-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.07
Rot. Bonds1

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

2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid (PubChem CID 164750475) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
PubChem CID164750475
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
SMILESCc1ncc(NC(=O)C(=O)O)cc1Cl
InChIInChI=1S/C8H7ClN2O3/c1-4-6(9)2-5(3-10-4)11-7(12)8(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyALTULBDBHJBBTH-UHFFFAOYSA-N
XLogP1.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 166286412
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048
2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164751259
N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide
CID 154871816
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-[[5-ethyl-6-(methylideneamino)-3-pyridinyl]amino]-2-oxoacetic acid
CID 170082755
2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
CID 15300494
2-[(5-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 118541226
2-amino-N-(5,6-dichloro-3-pyridinyl)acetamide
CID 130609491
(5-acetamido-3-methyl-2-pyridinyl) thiohypochlorite
CID 176575477
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;hydrochloride
CID 164753160

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid (CID 164750475) is 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid is Cc1ncc(NC(=O)C(=O)O)cc1Cl.
What is the InChIKey of 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid?
The InChIKey is ALTULBDBHJBBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-4-6(9)2-5(3-10-4)11-7(12)8(13)14/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid?
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid has a molecular weight of 214.61 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 164750475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).