2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid

C11H14ClN3O4 — CID 4615864

IUPAC2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H14ClN3O4/c1-6(2)5-7(11(16)17)13-10-8(15(18)19)3-4-9(12)14-10/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyPSGYVQOROPUUSH-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.55
Rot. Bonds6

About 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid

2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 4615864) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID4615864
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H14ClN3O4/c1-6(2)5-7(11(16)17)13-10-8(15(18)19)3-4-9(12)14-10/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyPSGYVQOROPUUSH-UHFFFAOYSA-N
XLogP2.55
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic 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

N-[3,5-Dinitropyridin-2-yl]valine
CID 536729
2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid
CID 3700374
1-(6-Chloro-3-nitro-2-pyridinyl)-4-hydroxy-2-pyrrolidinecarboxylic acid
CID 3787240
2-[(6-Chloro-3-nitro-2-pyridinyl)amino]acetic acid
CID 3641133
1-(6-Chloro-3-nitro-2-pyridinyl)-3-azetanecarboxylic acid
CID 3416952
1-(6-Chloro-3-nitropyridin-2-yl)pyrrolidine-2-carboxylic acid
CID 3784894
2-[(6-Chloro-3-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 3798679
2-({6-[(4-Chlorobenzyl)amino]-3-nitro-2-pyridinyl}amino)acetic acid
CID 4638929
6-Chloro-N-(1-methylethyl)-3-nitro-2-pyridinamine
CID 24903948
2-[(6-Fluoro-3-nitro-2-pyridinyl)amino]propanoic acid
CID 67944102
(2S)-2-amino-6-[(6-fluoro-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 144538745
2-[(3-Nitropyridin-2-yl)amino]propanoic acid
CID 14390513

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid (CID 4615864) is 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid is CC(C)CC(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is PSGYVQOROPUUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-6(2)5-7(11(16)17)13-10-8(15(18)19)3-4-9(12)14-10/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid?
2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 287.70 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 4615864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).