(2-phenyl-3-pyridinyl) perchlorate

C11H8ClNO4 — CID 141213498

IUPAC(2-phenyl-3-pyridinyl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])Oc1cccnc1-c1ccccc1
InChIInChI=1S/C11H8ClNO4/c14-12(15,16)17-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H
InChIKeyTWRZIBNPIMPODB-UHFFFAOYSA-N
MW253.64 g/mol
LogP-0.98
Rot. Bonds3

About (2-phenyl-3-pyridinyl) perchlorate

(2-phenyl-3-pyridinyl) perchlorate (PubChem CID 141213498) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is (2-phenyl-3-pyridinyl) perchlorate.

Molecular Properties

Compound Name(2-phenyl-3-pyridinyl) perchlorate
PubChem CID141213498
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name(2-phenyl-3-pyridinyl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])Oc1cccnc1-c1ccccc1
InChIInChI=1S/C11H8ClNO4/c14-12(15,16)17-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H
InChIKeyTWRZIBNPIMPODB-UHFFFAOYSA-N
XLogP-0.98
TPSA91.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-pyridinyl) perchlorate?
The IUPAC name of (2-phenyl-3-pyridinyl) perchlorate (CID 141213498) is (2-phenyl-3-pyridinyl) perchlorate.
What is the SMILES notation for (2-phenyl-3-pyridinyl) perchlorate?
The canonical SMILES for (2-phenyl-3-pyridinyl) perchlorate is [O-][Cl+3]([O-])([O-])Oc1cccnc1-c1ccccc1.
What is the InChIKey of (2-phenyl-3-pyridinyl) perchlorate?
The InChIKey is TWRZIBNPIMPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c14-12(15,16)17-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H.
What are the key properties of (2-phenyl-3-pyridinyl) perchlorate?
(2-phenyl-3-pyridinyl) perchlorate has a molecular weight of 253.64 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-pyridinyl) perchlorate is sourced from PubChem (CID 141213498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).