4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine

C10H13N3O3 — CID 57431518

IUPAC4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine
SMILESCOc1cc(N2CCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-16-9-6-10(12-4-2-3-5-12)11-7-8(9)13(14)15/h6-7H,2-5H2,1H3
InChIKeyULVCAXFWQYDJCA-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.60
Rot. Bonds3

About 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine

4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine (PubChem CID 57431518) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine
PubChem CID57431518
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine
SMILESCOc1cc(N2CCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-16-9-6-10(12-4-2-3-5-12)11-7-8(9)13(14)15/h6-7H,2-5H2,1H3
InChIKeyULVCAXFWQYDJCA-UHFFFAOYSA-N
XLogP1.60
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.60
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

1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1-(2-bromo-5-methoxy-4-nitrophenyl)pyrrolidine
CID 169490477
2-(3,3-dimethylpiperidin-1-yl)-4-methyl-5-nitropyridine
CID 133339436
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
2-bromo-5-nitro-4-piperidin-1-ylpyridine
CID 137390842
4-ethoxy-6-methyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133329528
1-(4-methyl-5-nitro-2-pyridinyl)-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 133329738
3-chloro-4-methoxy-N-(5-nitro-2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 174651843
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55608594
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine (CID 57431518) is 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine is COc1cc(N2CCCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine?
The InChIKey is ULVCAXFWQYDJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-9-6-10(12-4-2-3-5-12)11-7-8(9)13(14)15/h6-7H,2-5H2,1H3.
What are the key properties of 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine?
4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine has a molecular weight of 223.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 57431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).