5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C11H11N3O4 — CID 175051915

IUPAC5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccncc2)=C([N+](=O)[O-])C1
InChIInChI=1S/C11H11N3O4/c15-11(16)13-6-3-9(10(7-13)14(17)18)8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H,15,16)
InChIKeyRMHPZDNQWLXSJR-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.45
Rot. Bonds2

About 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175051915) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175051915
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccncc2)=C([N+](=O)[O-])C1
InChIInChI=1S/C11H11N3O4/c15-11(16)13-6-3-9(10(7-13)14(17)18)8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H,15,16)
InChIKeyRMHPZDNQWLXSJR-UHFFFAOYSA-N
XLogP1.45
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 141365416
5-phenyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 91432306
2-pyridin-4-ylcyclopentene-1-carboxylic acid
CID 127020464
4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91248689
(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 91664716
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900
4-(3-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118628523
4-[(3-fluoro-4-nitrophenyl)methylidene]piperidine-1-carboxylic acid
CID 67190864
(4-nitrophenyl) 5-[4-[2-(3-fluoro-4-pyridinyl)-2-oxoethyl]phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58110542
4-(pyrimidin-4-ylmethylideneamino)piperidine-1-carboxylic acid
CID 57461715
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175051915) is 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CCC(c2ccncc2)=C([N+](=O)[O-])C1.
What is the InChIKey of 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is RMHPZDNQWLXSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-11(16)13-6-3-9(10(7-13)14(17)18)8-1-4-12-5-2-8/h1-2,4-5H,3,6-7H2,(H,15,16).
What are the key properties of 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175051915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).