5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine

C9H10BrFN2O — CID 146404070

IUPAC5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
SMILESCCO/C=C/c1cc(Br)c(F)nc1N
InChIInChI=1S/C9H10BrFN2O/c1-2-14-4-3-6-5-7(10)8(11)13-9(6)12/h3-5H,2H2,1H3,(H2,12,13)/b4-3+
InChIKeyMAVQCSXCWSEVOY-ONEGZZNKSA-N
MW261.09 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine

5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine (PubChem CID 146404070) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
PubChem CID146404070
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
SMILESCCO/C=C/c1cc(Br)c(F)nc1N
InChIInChI=1S/C9H10BrFN2O/c1-2-14-4-3-6-5-7(10)8(11)13-9(6)12/h3-5H,2H2,1H3,(H2,12,13)/b4-3+
InChIKeyMAVQCSXCWSEVOY-ONEGZZNKSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine (CID 146404070) is 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine is CCO/C=C/c1cc(Br)c(F)nc1N.
What is the InChIKey of 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine?
The InChIKey is MAVQCSXCWSEVOY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-2-14-4-3-6-5-7(10)8(11)13-9(6)12/h3-5H,2H2,1H3,(H2,12,13)/b4-3+.
What are the key properties of 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine?
5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine has a molecular weight of 261.09 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 146404070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).