N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide

C7H10BrN5 — CID 168939307

IUPACN,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide
SMILESCc1nc(Br)ccc1C(=NN)NN
InChIInChI=1S/C7H10BrN5/c1-4-5(7(12-9)13-10)2-3-6(8)11-4/h2-3H,9-10H2,1H3,(H,12,13)
InChIKeyUFEYGFVWWFKNDI-UHFFFAOYSA-N
MW244.10 g/mol
LogP0.24
Rot. Bonds1

About N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide

N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide (PubChem CID 168939307) has the molecular formula C7H10BrN5 and a molecular weight of 244.10 g/mol. Its IUPAC name is N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide
PubChem CID168939307
Molecular FormulaC7H10BrN5
Molecular Weight244.10 g/mol
Exact Mass243.01
IUPAC NameN,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide
SMILESCc1nc(Br)ccc1C(=NN)NN
InChIInChI=1S/C7H10BrN5/c1-4-5(7(12-9)13-10)2-3-6(8)11-4/h2-3H,9-10H2,1H3,(H,12,13)
InChIKeyUFEYGFVWWFKNDI-UHFFFAOYSA-N
XLogP0.24
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane
CID 177153642
N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide
CID 137403371
6-bromo-2-methylpyridine-3-sulfonic acid
CID 159818878
1-(6-bromo-2-methyl-3-pyridinyl)-2,2-dimethylpentan-1-one
CID 171557672
N',6-diamino-2-methylpyridine-3-carboximidamide
CID 168918327
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
2-methyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82452163
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
6-bromo-2-methyl-3-methylsulfanylpyridine
CID 175568544
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
CID 175568543

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide?
The IUPAC name of N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide (CID 168939307) is N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide?
The canonical SMILES for N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide is Cc1nc(Br)ccc1C(=NN)NN.
What is the InChIKey of N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide?
The InChIKey is UFEYGFVWWFKNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5/c1-4-5(7(12-9)13-10)2-3-6(8)11-4/h2-3H,9-10H2,1H3,(H,12,13).
What are the key properties of N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide?
N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide has a molecular weight of 244.10 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 168939307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).