2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide

C13H12BrClN4 — CID 103582344

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN4/c1-19(13-10(15)6-8(14)7-18-13)11-5-3-2-4-9(11)12(16)17/h2-7H,1H3,(H3,16,17)
InChIKeySNBPRMVDYGMMJR-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.55
Rot. Bonds3

About 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide

2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide (PubChem CID 103582344) has the molecular formula C13H12BrClN4 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
PubChem CID103582344
Molecular FormulaC13H12BrClN4
Molecular Weight339.62 g/mol
Exact Mass337.99
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN4/c1-19(13-10(15)6-8(14)7-18-13)11-5-3-2-4-9(11)12(16)17/h2-7H,1H3,(H3,16,17)
InChIKeySNBPRMVDYGMMJR-UHFFFAOYSA-N
XLogP3.55
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 103582321
2-[methyl-(2-oxo-1H-pyrazin-3-yl)amino]benzenecarboximidamide
CID 114570784
2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114835568
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547
3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide
CID 103582333
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide (CID 103582344) is 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)c1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide?
The InChIKey is SNBPRMVDYGMMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4/c1-19(13-10(15)6-8(14)7-18-13)11-5-3-2-4-9(11)12(16)17/h2-7H,1H3,(H3,16,17).
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide?
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide has a molecular weight of 339.62 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 103582344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).