[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium

C8H13BrN3O+ — CID 144632987

IUPAC[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium
SMILESCC(C)Nc1cc(Br)ncc1[NH2+]O
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-6-3-8(9)10-4-7(6)12-13/h3-5,12-13H,1-2H3,(H,10,11)/p+1
InChIKeyWBVGIDRZFDYVRH-UHFFFAOYSA-O
MW247.12 g/mol
LogP1.25
Rot. Bonds3

About [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium

[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium (PubChem CID 144632987) has the molecular formula C8H13BrN3O+ and a molecular weight of 247.12 g/mol. Its IUPAC name is [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium.

Molecular Properties

Compound Name[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium
PubChem CID144632987
Molecular FormulaC8H13BrN3O+
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium
SMILESCC(C)Nc1cc(Br)ncc1[NH2+]O
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-6-3-8(9)10-4-7(6)12-13/h3-5,12-13H,1-2H3,(H,10,11)/p+1
InChIKeyWBVGIDRZFDYVRH-UHFFFAOYSA-O
XLogP1.25
TPSA61.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
CID 144767861
N-[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-2-methoxyacetamide
CID 90176651
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
[4-[4-[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]triazol-1-yl]cyclohexyl]methanol
CID 164567344
2-bromo-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine;methyl cyclobutanecarboxylate
CID 153404962
6-bromo-4-N-methylpyridine-3,4-diamine
CID 86661976
2-[[6-bromo-4-[[(2S)-3,3-difluorobutan-2-yl]amino]-3-pyridinyl]amino]-2-oxoacetic acid
CID 141406577
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 155818610
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
2,5-dibromo-4-propan-2-ylpyridine
CID 122715591

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium?
The IUPAC name of [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium (CID 144632987) is [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium.
What is the SMILES notation for [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium?
The canonical SMILES for [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium is CC(C)Nc1cc(Br)ncc1[NH2+]O.
What is the InChIKey of [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium?
The InChIKey is WBVGIDRZFDYVRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)11-6-3-8(9)10-4-7(6)12-13/h3-5,12-13H,1-2H3,(H,10,11)/p+1.
What are the key properties of [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium?
[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium has a molecular weight of 247.12 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium is sourced from PubChem (CID 144632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).