N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide

C8H10BrFN4 — CID 143149764

IUPACN'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide
SMILESCN(N)/N=C(\N)c1cc(F)ccc1Br
InChIInChI=1S/C8H10BrFN4/c1-14(12)13-8(11)6-4-5(10)2-3-7(6)9/h2-4H,12H2,1H3,(H2,11,13)
InChIKeyBRSCZAMENLXOAN-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.01
Rot. Bonds2

About N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide

N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide (PubChem CID 143149764) has the molecular formula C8H10BrFN4 and a molecular weight of 261.10 g/mol. Its IUPAC name is N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide
PubChem CID143149764
Molecular FormulaC8H10BrFN4
Molecular Weight261.10 g/mol
Exact Mass260.01
IUPAC NameN'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide
SMILESCN(N)/N=C(\N)c1cc(F)ccc1Br
InChIInChI=1S/C8H10BrFN4/c1-14(12)13-8(11)6-4-5(10)2-3-7(6)9/h2-4H,12H2,1H3,(H2,11,13)
InChIKeyBRSCZAMENLXOAN-UHFFFAOYSA-N
XLogP1.01
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide?
The IUPAC name of N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide (CID 143149764) is N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide is CN(N)/N=C(\N)c1cc(F)ccc1Br.
What is the InChIKey of N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide?
The InChIKey is BRSCZAMENLXOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN4/c1-14(12)13-8(11)6-4-5(10)2-3-7(6)9/h2-4H,12H2,1H3,(H2,11,13).
What are the key properties of N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide?
N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide has a molecular weight of 261.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methyl)amino]-2-bromo-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 143149764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).