disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate

C12H7BrFNNa2O3 — CID 160850960

IUPACdisodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate
SMILESFc1cc(-c2ccncc2)ccc1Br.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C11H7BrFN.CH2O3.2Na/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;2-1(3)4;;/h1-7H;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySJGGTECZCHQRHW-UHFFFAOYSA-L
MW358.07 g/mol
LogP-4.79
Rot. Bonds1

About disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate

disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate (PubChem CID 160850960) has the molecular formula C12H7BrFNNa2O3 and a molecular weight of 358.07 g/mol. Its IUPAC name is disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate.

Molecular Properties

Compound Namedisodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate
PubChem CID160850960
Molecular FormulaC12H7BrFNNa2O3
Molecular Weight358.07 g/mol
Exact Mass356.94
IUPAC Namedisodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate
SMILESFc1cc(-c2ccncc2)ccc1Br.O=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C11H7BrFN.CH2O3.2Na/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;2-1(3)4;;/h1-7H;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeySJGGTECZCHQRHW-UHFFFAOYSA-L
XLogP-4.79
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 5-4.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate?
The IUPAC name of disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate (CID 160850960) is disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate.
What is the SMILES notation for disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate?
The canonical SMILES for disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate is Fc1cc(-c2ccncc2)ccc1Br.O=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate?
The InChIKey is SJGGTECZCHQRHW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H7BrFN.CH2O3.2Na/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;2-1(3)4;;/h1-7H;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate?
disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate has a molecular weight of 358.07 g/mol, XLogP of -4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-(4-bromo-3-fluorophenyl)pyridine;carbonate is sourced from PubChem (CID 160850960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).