5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine

C9H10BrFN2 — CID 142503067

IUPAC5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine
SMILESC=C(C)C(F)c1c(N)cncc1Br
InChIInChI=1S/C9H10BrFN2/c1-5(2)9(11)8-6(10)3-13-4-7(8)12/h3-4,9H,1,12H2,2H3
InChIKeyGTKUYZIHAORAJU-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.01
Rot. Bonds2

About 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine

5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine (PubChem CID 142503067) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine
PubChem CID142503067
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine
SMILESC=C(C)C(F)c1c(N)cncc1Br
InChIInChI=1S/C9H10BrFN2/c1-5(2)9(11)8-6(10)3-13-4-7(8)12/h3-4,9H,1,12H2,2H3
InChIKeyGTKUYZIHAORAJU-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine (CID 142503067) is 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine is C=C(C)C(F)c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine?
The InChIKey is GTKUYZIHAORAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2/c1-5(2)9(11)8-6(10)3-13-4-7(8)12/h3-4,9H,1,12H2,2H3.
What are the key properties of 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine?
5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine has a molecular weight of 245.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine is sourced from PubChem (CID 142503067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).