5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C10H13BrN4O2 — CID 62542196

IUPAC5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCC1CCCN1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-6-8-2-1-3-12-8/h4-5,8,12H,1-3,6H2,(H,13,14)
InChIKeyNIMDBDRCZLKELY-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.92
Rot. Bonds4

About 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 62542196) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID62542196
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Br)cnc1NCC1CCCN1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-6-8-2-1-3-12-8/h4-5,8,12H,1-3,6H2,(H,13,14)
InChIKeyNIMDBDRCZLKELY-UHFFFAOYSA-N
XLogP1.92
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 103768221
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-2-amine
CID 61227289
2-[3-[(5-bromo-3-nitro-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384900
5-bromo-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 133498073
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61229223
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 62542196) is 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cc(Br)cnc1NCC1CCCN1.
What is the InChIKey of 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is NIMDBDRCZLKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-4-9(15(16)17)10(13-5-7)14-6-8-2-1-3-12-8/h4-5,8,12H,1-3,6H2,(H,13,14).
What are the key properties of 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 301.14 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62542196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).