5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine

C15H13Cl2N3O3 — CID 133406376

IUPAC5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H13Cl2N3O3/c16-10-2-1-3-12(6-10)23-13-4-5-19(9-13)15-14(20(21)22)7-11(17)8-18-15/h1-3,6-8,13H,4-5,9H2
InChIKeyDTZAASBGWSOBIC-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.95
Rot. Bonds4

About 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine

5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine (PubChem CID 133406376) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine.

Molecular Properties

Compound Name5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
PubChem CID133406376
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C15H13Cl2N3O3/c16-10-2-1-3-12(6-10)23-13-4-5-19(9-13)15-14(20(21)22)7-11(17)8-18-15/h1-3,6-8,13H,4-5,9H2
InChIKeyDTZAASBGWSOBIC-UHFFFAOYSA-N
XLogP3.95
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
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

5-chloro-2-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133480647
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 133406415
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 67958118
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
methyl (3S,4S)-1-(5-chloro-3-nitro-2-pyridinyl)-3-methylpiperidine-4-carboxylate
CID 125138653
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
1-(5-chloro-3-nitro-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497669
(4aS,7aS)-6-(5-chloro-3-nitro-2-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683838
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine?
The IUPAC name of 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine (CID 133406376) is 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine.
What is the SMILES notation for 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine?
The canonical SMILES for 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine is O=[N+]([O-])c1cc(Cl)cnc1N1CCC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine?
The InChIKey is DTZAASBGWSOBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c16-10-2-1-3-12(6-10)23-13-4-5-19(9-13)15-14(20(21)22)7-11(17)8-18-15/h1-3,6-8,13H,4-5,9H2.
What are the key properties of 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine?
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine has a molecular weight of 354.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine is sourced from PubChem (CID 133406376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).