(5-bromo-6-fluoro-2-pyridinyl) carbamate

C6H4BrFN2O2 — CID 146241183

IUPAC(5-bromo-6-fluoro-2-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(Br)c(F)n1
InChIInChI=1S/C6H4BrFN2O2/c7-3-1-2-4(10-5(3)8)12-6(9)11/h1-2H,(H2,9,11)
InChIKeyDLYLGIYASCPEJC-UHFFFAOYSA-N
MW235.01 g/mol
LogP1.44
Rot. Bonds1

About (5-bromo-6-fluoro-2-pyridinyl) carbamate

(5-bromo-6-fluoro-2-pyridinyl) carbamate (PubChem CID 146241183) has the molecular formula C6H4BrFN2O2 and a molecular weight of 235.01 g/mol. Its IUPAC name is (5-bromo-6-fluoro-2-pyridinyl) carbamate.

Molecular Properties

Compound Name(5-bromo-6-fluoro-2-pyridinyl) carbamate
PubChem CID146241183
Molecular FormulaC6H4BrFN2O2
Molecular Weight235.01 g/mol
Exact Mass233.94
IUPAC Name(5-bromo-6-fluoro-2-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(Br)c(F)n1
InChIInChI=1S/C6H4BrFN2O2/c7-3-1-2-4(10-5(3)8)12-6(9)11/h1-2H,(H2,9,11)
InChIKeyDLYLGIYASCPEJC-UHFFFAOYSA-N
XLogP1.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.01
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-fluoro-2-pyridinyl) carbamate?
The IUPAC name of (5-bromo-6-fluoro-2-pyridinyl) carbamate (CID 146241183) is (5-bromo-6-fluoro-2-pyridinyl) carbamate.
What is the SMILES notation for (5-bromo-6-fluoro-2-pyridinyl) carbamate?
The canonical SMILES for (5-bromo-6-fluoro-2-pyridinyl) carbamate is NC(=O)Oc1ccc(Br)c(F)n1.
What is the InChIKey of (5-bromo-6-fluoro-2-pyridinyl) carbamate?
The InChIKey is DLYLGIYASCPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O2/c7-3-1-2-4(10-5(3)8)12-6(9)11/h1-2H,(H2,9,11).
What are the key properties of (5-bromo-6-fluoro-2-pyridinyl) carbamate?
(5-bromo-6-fluoro-2-pyridinyl) carbamate has a molecular weight of 235.01 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-fluoro-2-pyridinyl) carbamate is sourced from PubChem (CID 146241183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).