(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone

C10H11N3O3 — CID 91664716

IUPAC(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccncc1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C10H11N3O3/c14-10(12-5-1-2-6-12)8-3-4-11-7-9(8)13(15)16/h3-4,7H,1-2,5-6H2
InChIKeyHHIFQLJFJSDCNB-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.23
Rot. Bonds2

About (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone

(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 91664716) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID91664716
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccncc1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C10H11N3O3/c14-10(12-5-1-2-6-12)8-3-4-11-7-9(8)13(15)16/h3-4,7H,1-2,5-6H2
InChIKeyHHIFQLJFJSDCNB-UHFFFAOYSA-N
XLogP1.23
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
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

(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
azocan-1-yl-(2-chloro-5-nitro-4-pyridinyl)methanone
CID 103732324
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
azepan-1-yl-(4-fluoro-2-nitrophenyl)methanone
CID 115692646
azepan-1-yl-(5-hydroxy-2-nitrophenyl)methanone
CID 102740374
(5-methyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 65463039
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
CID 43114074
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404

Frequently Asked Questions

What is the IUPAC name of (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone (CID 91664716) is (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1ccncc1[N+](=O)[O-])N1CCCC1.
What is the InChIKey of (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is HHIFQLJFJSDCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-10(12-5-1-2-6-12)8-3-4-11-7-9(8)13(15)16/h3-4,7H,1-2,5-6H2.
What are the key properties of (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
(3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 221.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-4-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91664716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).