6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid

C10H12ClN3O3 — CID 63380401

IUPAC6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
SMILESCN(C)C(=O)CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-14(2)8(15)5-12-9-6(10(16)17)3-4-7(11)13-9/h3-4H,5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyOGGAFGWOXYPDKA-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.93
Rot. Bonds4

About 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid

6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid (PubChem CID 63380401) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
PubChem CID63380401
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
SMILESCN(C)C(=O)CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-14(2)8(15)5-12-9-6(10(16)17)3-4-7(11)13-9/h3-4H,5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyOGGAFGWOXYPDKA-UHFFFAOYSA-N
XLogP0.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(3-methylbut-2-enylamino)pyridine-3-carboxylic acid
CID 106189848
6-chloro-2-[4-[methyl(propan-2-yl)amino]butylamino]pyridine-3-carboxylic acid
CID 63380062
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
6-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-3-carboxylic acid
CID 63859490
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726
6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 22025904
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
6-chloro-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 63379935
2-(3-butoxypropylamino)-6-chloropyridine-3-carboxylic acid
CID 113481133
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid (CID 63380401) is 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid is CN(C)C(=O)CNc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
The InChIKey is OGGAFGWOXYPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-14(2)8(15)5-12-9-6(10(16)17)3-4-7(11)13-9/h3-4H,5H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid?
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid has a molecular weight of 257.68 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).