3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine

C10H12BrN3O3 — CID 104508420

IUPAC3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine
SMILESCc1c([N+](=O)[O-])cnc(OC2CCNC2)c1Br
InChIInChI=1S/C10H12BrN3O3/c1-6-8(14(15)16)5-13-10(9(6)11)17-7-2-3-12-4-7/h5,7,12H,2-4H2,1H3
InChIKeyYHCMCZKOMFJCSQ-UHFFFAOYSA-N
MW302.13 g/mol
LogP1.80
Rot. Bonds3

About 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine

3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine (PubChem CID 104508420) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine
PubChem CID104508420
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine
SMILESCc1c([N+](=O)[O-])cnc(OC2CCNC2)c1Br
InChIInChI=1S/C10H12BrN3O3/c1-6-8(14(15)16)5-13-10(9(6)11)17-7-2-3-12-4-7/h5,7,12H,2-4H2,1H3
InChIKeyYHCMCZKOMFJCSQ-UHFFFAOYSA-N
XLogP1.80
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 51.80
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

3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
6-bromo-3-nitro-4-pyrrolidin-3-yloxyquinoline
CID 62347950
3-bromo-5-methyl-2-pyrrolidin-3-yloxypyridine
CID 105368575
2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
CID 66883552
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-(4-methyl-3-nitrophenoxy)pyrrolidine
CID 62911830
3-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxy]propan-1-amine
CID 104508424
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine?
The IUPAC name of 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine (CID 104508420) is 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine is Cc1c([N+](=O)[O-])cnc(OC2CCNC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine?
The InChIKey is YHCMCZKOMFJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c1-6-8(14(15)16)5-13-10(9(6)11)17-7-2-3-12-4-7/h5,7,12H,2-4H2,1H3.
What are the key properties of 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine?
3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine has a molecular weight of 302.13 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 104508420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).