4-bromo-5-fluoro-3-nitropyridin-2-amine

C5H3BrFN3O2 — CID 58387022

IUPAC4-bromo-5-fluoro-3-nitropyridin-2-amine
SMILESNc1ncc(F)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C5H3BrFN3O2/c6-3-2(7)1-9-5(8)4(3)10(11)12/h1H,(H2,8,9)
InChIKeyILYWODBWJINCDQ-UHFFFAOYSA-N
MW236.00 g/mol
LogP1.47
Rot. Bonds1

About 4-bromo-5-fluoro-3-nitropyridin-2-amine

4-bromo-5-fluoro-3-nitropyridin-2-amine (PubChem CID 58387022) has the molecular formula C5H3BrFN3O2 and a molecular weight of 236.00 g/mol. Its IUPAC name is 4-bromo-5-fluoro-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-bromo-5-fluoro-3-nitropyridin-2-amine
PubChem CID58387022
Molecular FormulaC5H3BrFN3O2
Molecular Weight236.00 g/mol
Exact Mass234.94
IUPAC Name4-bromo-5-fluoro-3-nitropyridin-2-amine
SMILESNc1ncc(F)c(Br)c1[N+](=O)[O-]
InChIInChI=1S/C5H3BrFN3O2/c6-3-2(7)1-9-5(8)4(3)10(11)12/h1H,(H2,8,9)
InChIKeyILYWODBWJINCDQ-UHFFFAOYSA-N
XLogP1.47
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.00
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-3-nitropyridin-2-amine?
The IUPAC name of 4-bromo-5-fluoro-3-nitropyridin-2-amine (CID 58387022) is 4-bromo-5-fluoro-3-nitropyridin-2-amine.
What is the SMILES notation for 4-bromo-5-fluoro-3-nitropyridin-2-amine?
The canonical SMILES for 4-bromo-5-fluoro-3-nitropyridin-2-amine is Nc1ncc(F)c(Br)c1[N+](=O)[O-].
What is the InChIKey of 4-bromo-5-fluoro-3-nitropyridin-2-amine?
The InChIKey is ILYWODBWJINCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFN3O2/c6-3-2(7)1-9-5(8)4(3)10(11)12/h1H,(H2,8,9).
What are the key properties of 4-bromo-5-fluoro-3-nitropyridin-2-amine?
4-bromo-5-fluoro-3-nitropyridin-2-amine has a molecular weight of 236.00 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-3-nitropyridin-2-amine is sourced from PubChem (CID 58387022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).