1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid

C11H13N3O4 — CID 43114074

IUPAC1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-11(16)9-3-1-2-6-13(9)8-4-5-12-7-10(8)14(17)18/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyCHGKWBLRQCXDDU-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid

1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid (PubChem CID 43114074) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
PubChem CID43114074
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-11(16)9-3-1-2-6-13(9)8-4-5-12-7-10(8)14(17)18/h4-5,7,9H,1-3,6H2,(H,15,16)
InChIKeyCHGKWBLRQCXDDU-UHFFFAOYSA-N
XLogP1.43
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.43
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-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43114072
[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
CID 61146528
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
2-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63904871
2-methyl-2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 83199130
1-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 19624574
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
(3S,4R)-1-(3-nitro-4-pyridinyl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124734466
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113315902
2,5-dimethyl-4-(3-nitro-4-pyridinyl)piperazine-1-carboxylic acid
CID 70981666
1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 15740880

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid (CID 43114074) is 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ccncc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid?
The InChIKey is CHGKWBLRQCXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-11(16)9-3-1-2-6-13(9)8-4-5-12-7-10(8)14(17)18/h4-5,7,9H,1-3,6H2,(H,15,16).
What are the key properties of 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid?
1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).