1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid

C11H12ClN3O4 — CID 15740880

IUPAC1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-7-5-9(15(18)19)10(13-6-7)14-4-2-1-3-8(14)11(16)17/h5-6,8H,1-4H2,(H,16,17)
InChIKeySJTATXVLFCYLLC-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.09
Rot. Bonds3

About 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid

1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid (PubChem CID 15740880) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
PubChem CID15740880
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-7-5-9(15(18)19)10(13-6-7)14-4-2-1-3-8(14)11(16)17/h5-6,8H,1-4H2,(H,16,17)
InChIKeySJTATXVLFCYLLC-UHFFFAOYSA-N
XLogP2.09
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
1-(5-chloro-3-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776578
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
[(2S)-1-(5-chloro-3-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 97101938
1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 123766281
1-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 19624574
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058725
(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965048
5-chloro-3-nitro-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 119037474
1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113315902
cis-(1R,2S)-2-[4-(5-chloro-3-nitro-2-pyridinyl)-3-(4-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167295199

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid (CID 15740880) is 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid?
The InChIKey is SJTATXVLFCYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-7-5-9(15(18)19)10(13-6-7)14-4-2-1-3-8(14)11(16)17/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid?
1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid has a molecular weight of 285.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 15740880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).