[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium

C6H8BrN4+ — CID 147829128

IUPAC[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
SMILESNC(=[NH2+])c1cc(Br)cnc1N
InChIInChI=1S/C6H7BrN4/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2H,(H3,8,9)(H2,10,11)/p+1
InChIKeyHQTCLUANUWCGTL-UHFFFAOYSA-O
MW216.06 g/mol
LogP-1.11
Rot. Bonds1

About [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium

[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium (PubChem CID 147829128) has the molecular formula C6H8BrN4+ and a molecular weight of 216.06 g/mol. Its IUPAC name is [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
PubChem CID147829128
Molecular FormulaC6H8BrN4+
Molecular Weight216.06 g/mol
Exact Mass214.99
IUPAC Name[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
SMILESNC(=[NH2+])c1cc(Br)cnc1N
InChIInChI=1S/C6H7BrN4/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2H,(H3,8,9)(H2,10,11)/p+1
InChIKeyHQTCLUANUWCGTL-UHFFFAOYSA-O
XLogP-1.11
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.06
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
5-bromopyridine-2,3-diamine;ethane
CID 90880932
CID 89204152
CID 89204152
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914283
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291

Frequently Asked Questions

What is the IUPAC name of [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium?
The IUPAC name of [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium (CID 147829128) is [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium.
What is the SMILES notation for [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium?
The canonical SMILES for [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium is NC(=[NH2+])c1cc(Br)cnc1N.
What is the InChIKey of [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium?
The InChIKey is HQTCLUANUWCGTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7BrN4/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2H,(H3,8,9)(H2,10,11)/p+1.
What are the key properties of [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium?
[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium has a molecular weight of 216.06 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium is sourced from PubChem (CID 147829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).