(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine

C9H13BrN2 — CID 167211736

IUPAC(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
SMILESCC/C(C)=C1/C=C(Br)C=CN1N
InChIInChI=1S/C9H13BrN2/c1-3-7(2)9-6-8(10)4-5-12(9)11/h4-6H,3,11H2,1-2H3/b9-7-
InChIKeyMWWKOMCWJMVBSB-CLFYSBASSA-N
MW229.12 g/mol
LogP2.65
Rot. Bonds1

About (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine

(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine (PubChem CID 167211736) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine.

Molecular Properties

Compound Name(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
PubChem CID167211736
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine
SMILESCC/C(C)=C1/C=C(Br)C=CN1N
InChIInChI=1S/C9H13BrN2/c1-3-7(2)9-6-8(10)4-5-12(9)11/h4-6H,3,11H2,1-2H3/b9-7-
InChIKeyMWWKOMCWJMVBSB-CLFYSBASSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine?
The IUPAC name of (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine (CID 167211736) is (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine.
What is the SMILES notation for (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine?
The canonical SMILES for (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine is CC/C(C)=C1/C=C(Br)C=CN1N.
What is the InChIKey of (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine?
The InChIKey is MWWKOMCWJMVBSB-CLFYSBASSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-7(2)9-6-8(10)4-5-12(9)11/h4-6H,3,11H2,1-2H3/b9-7-.
What are the key properties of (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine?
(2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-bromo-2-butan-2-ylidenepyridin-1-amine is sourced from PubChem (CID 167211736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).