2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid

C12H13Cl3N2O3 — CID 43387014

IUPAC2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)O
InChIInChI=1S/C12H13Cl3N2O3/c1-2-3-4-7(12(19)20)17-11(18)10-9(15)8(14)6(13)5-16-10/h5,7H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHGLIRZKZNECJF-UHFFFAOYSA-N
MW339.61 g/mol
LogP3.41
Rot. Bonds6

About 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid

2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid (PubChem CID 43387014) has the molecular formula C12H13Cl3N2O3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
PubChem CID43387014
Molecular FormulaC12H13Cl3N2O3
Molecular Weight339.61 g/mol
Exact Mass338.00
IUPAC Name2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)O
InChIInChI=1S/C12H13Cl3N2O3/c1-2-3-4-7(12(19)20)17-11(18)10-9(15)8(14)6(13)5-16-10/h5,7H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHGLIRZKZNECJF-UHFFFAOYSA-N
XLogP3.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic 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

3-methyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pentanoic acid
CID 43239976
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
3,3-dimethyl-2-[(3,4,5-trichloropyridine-2-carbonyl)amino]butanoic acid
CID 43467624
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
(2R)-2-[(6-chloroquinoline-5-carbonyl)amino]hexanoic acid
CID 166384100

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid (CID 43387014) is 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid?
The InChIKey is XHGLIRZKZNECJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O3/c1-2-3-4-7(12(19)20)17-11(18)10-9(15)8(14)6(13)5-16-10/h5,7H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid?
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid has a molecular weight of 339.61 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43387014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).