2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine

C10H14BrN3 — CID 144767861

IUPAC2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(Br)cc1NC(C)C
InChIInChI=1S/C10H14BrN3/c1-6(2)14-9-4-10(11)13-5-8(9)7(3)12/h4-6,12H,1-3H3,(H,13,14)/b12-7+
InChIKeyGNJYDENIOJTRMT-KPKJPENVSA-N
MW256.15 g/mol
LogP3.05
Rot. Bonds3

About 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine

2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine (PubChem CID 144767861) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
PubChem CID144767861
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(Br)cc1NC(C)C
InChIInChI=1S/C10H14BrN3/c1-6(2)14-9-4-10(11)13-5-8(9)7(3)12/h4-6,12H,1-3H3,(H,13,14)/b12-7+
InChIKeyGNJYDENIOJTRMT-KPKJPENVSA-N
XLogP3.05
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium
CID 144632987
6-bromo-N-(oxan-4-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 135307811
4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
CID 167273660
N-[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-2-methoxyacetamide
CID 90176651
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
6-bromo-4-N-methylpyridine-3,4-diamine
CID 86661976

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine (CID 144767861) is 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine is [H]/N=C(\C)c1cnc(Br)cc1NC(C)C.
What is the InChIKey of 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine?
The InChIKey is GNJYDENIOJTRMT-KPKJPENVSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-6(2)14-9-4-10(11)13-5-8(9)7(3)12/h4-6,12H,1-3H3,(H,13,14)/b12-7+.
What are the key properties of 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine?
2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine has a molecular weight of 256.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 144767861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).