1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine

C10H13BrN4O2 — CID 113282049

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H13BrN4O2/c1-12-8-2-3-14(6-8)10-9(15(16)17)4-7(11)5-13-10/h4-5,8,12H,2-3,6H2,1H3
InChIKeyYWHHFHYOIHLVCT-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.55
Rot. Bonds3

About 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine

1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine (PubChem CID 113282049) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
PubChem CID113282049
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H13BrN4O2/c1-12-8-2-3-14(6-8)10-9(15(16)17)4-7(11)5-13-10/h4-5,8,12H,2-3,6H2,1H3
InChIKeyYWHHFHYOIHLVCT-UHFFFAOYSA-N
XLogP1.55
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.55
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

1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
4-(5-bromo-3-nitro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 55140574
1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 115300891

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine (CID 113282049) is 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine?
The InChIKey is YWHHFHYOIHLVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-12-8-2-3-14(6-8)10-9(15(16)17)4-7(11)5-13-10/h4-5,8,12H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine?
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine has a molecular weight of 301.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 113282049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).