N-amino-5-bromo-N'-methylpyridine-2-carboximidamide

C7H9BrN4 — CID 62960458

IUPACN-amino-5-bromo-N'-methylpyridine-2-carboximidamide
SMILESC/N=C(\NN)c1ccc(Br)cn1
InChIInChI=1S/C7H9BrN4/c1-10-7(12-9)6-3-2-5(8)4-11-6/h2-4H,9H2,1H3,(H,10,12)
InChIKeyFRVVRZXXYVGFGM-UHFFFAOYSA-N
MW229.08 g/mol
LogP0.68
Rot. Bonds1

About N-amino-5-bromo-N'-methylpyridine-2-carboximidamide

N-amino-5-bromo-N'-methylpyridine-2-carboximidamide (PubChem CID 62960458) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is N-amino-5-bromo-N'-methylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-5-bromo-N'-methylpyridine-2-carboximidamide
PubChem CID62960458
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC NameN-amino-5-bromo-N'-methylpyridine-2-carboximidamide
SMILESC/N=C(\NN)c1ccc(Br)cn1
InChIInChI=1S/C7H9BrN4/c1-10-7(12-9)6-3-2-5(8)4-11-6/h2-4H,9H2,1H3,(H,10,12)
InChIKeyFRVVRZXXYVGFGM-UHFFFAOYSA-N
XLogP0.68
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(5-bromo-2-pyridinyl)ethylidenehydrazine
CID 140750356
N-amino-N',6-dimethylpyridine-2-carboximidamide
CID 61361045
methyl 5-bromopyridine-2-carboxylate
CID 7016458
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
1-(5-bromo-2-pyridinyl)-2-(methylamino)propan-1-one
CID 155973765
(E)-1-(5-bromo-2-pyridinyl)-N-tert-butylsulfanylethanimine
CID 169151140
(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
CID 175111598
N-(5-bromo-2-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642521
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852

Frequently Asked Questions

What is the IUPAC name of N-amino-5-bromo-N'-methylpyridine-2-carboximidamide?
The IUPAC name of N-amino-5-bromo-N'-methylpyridine-2-carboximidamide (CID 62960458) is N-amino-5-bromo-N'-methylpyridine-2-carboximidamide.
What is the SMILES notation for N-amino-5-bromo-N'-methylpyridine-2-carboximidamide?
The canonical SMILES for N-amino-5-bromo-N'-methylpyridine-2-carboximidamide is C/N=C(\NN)c1ccc(Br)cn1.
What is the InChIKey of N-amino-5-bromo-N'-methylpyridine-2-carboximidamide?
The InChIKey is FRVVRZXXYVGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c1-10-7(12-9)6-3-2-5(8)4-11-6/h2-4H,9H2,1H3,(H,10,12).
What are the key properties of N-amino-5-bromo-N'-methylpyridine-2-carboximidamide?
N-amino-5-bromo-N'-methylpyridine-2-carboximidamide has a molecular weight of 229.08 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-bromo-N'-methylpyridine-2-carboximidamide is sourced from PubChem (CID 62960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).