6-bromo-4-ethanimidoylpyridin-3-amine

C7H8BrN3 — CID 143774873

IUPAC6-bromo-4-ethanimidoylpyridin-3-amine
SMILES[H]/N=C(\C)c1cc(Br)ncc1N
InChIInChI=1S/C7H8BrN3/c1-4(9)5-2-7(8)11-3-6(5)10/h2-3,9H,10H2,1H3/b9-4+
InChIKeyWOTHYVPMEGBKLY-RUDMXATFSA-N
MW214.07 g/mol
LogP1.81
Rot. Bonds1

About 6-bromo-4-ethanimidoylpyridin-3-amine

6-bromo-4-ethanimidoylpyridin-3-amine (PubChem CID 143774873) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 6-bromo-4-ethanimidoylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-4-ethanimidoylpyridin-3-amine
PubChem CID143774873
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name6-bromo-4-ethanimidoylpyridin-3-amine
SMILES[H]/N=C(\C)c1cc(Br)ncc1N
InChIInChI=1S/C7H8BrN3/c1-4(9)5-2-7(8)11-3-6(5)10/h2-3,9H,10H2,1H3/b9-4+
InChIKeyWOTHYVPMEGBKLY-RUDMXATFSA-N
XLogP1.81
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.81
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

2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
CID 144767861
6-bromopyridine-3,4-diamine
CID 18788657
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
5-bromo-3-ethanimidoylpyrazin-2-amine
CID 143774899
CID 164593281
CID 164593281
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
6-bromo-4-N-methylpyridine-3,4-diamine
CID 86661976
1-(6-bromo-3-pyridinyl)ethanimine;ethane;2-methylpropane-2-thiol
CID 166536269
2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
CID 143150934
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946
2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
CID 144694376

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethanimidoylpyridin-3-amine?
The IUPAC name of 6-bromo-4-ethanimidoylpyridin-3-amine (CID 143774873) is 6-bromo-4-ethanimidoylpyridin-3-amine.
What is the SMILES notation for 6-bromo-4-ethanimidoylpyridin-3-amine?
The canonical SMILES for 6-bromo-4-ethanimidoylpyridin-3-amine is [H]/N=C(\C)c1cc(Br)ncc1N.
What is the InChIKey of 6-bromo-4-ethanimidoylpyridin-3-amine?
The InChIKey is WOTHYVPMEGBKLY-RUDMXATFSA-N. The full InChI is InChI=1S/C7H8BrN3/c1-4(9)5-2-7(8)11-3-6(5)10/h2-3,9H,10H2,1H3/b9-4+.
What are the key properties of 6-bromo-4-ethanimidoylpyridin-3-amine?
6-bromo-4-ethanimidoylpyridin-3-amine has a molecular weight of 214.07 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethanimidoylpyridin-3-amine is sourced from PubChem (CID 143774873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).