(6-cyano-4-methyl-3-pyridinyl) hypofluorite

C7H5FN2O — CID 142338258

IUPAC(6-cyano-4-methyl-3-pyridinyl) hypofluorite
SMILESCc1cc(C#N)ncc1OF
InChIInChI=1S/C7H5FN2O/c1-5-2-6(3-9)10-4-7(5)11-8/h2,4H,1H3
InChIKeyNICQYPLHFPMLFM-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.52
Rot. Bonds1

About (6-cyano-4-methyl-3-pyridinyl) hypofluorite

(6-cyano-4-methyl-3-pyridinyl) hypofluorite (PubChem CID 142338258) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is (6-cyano-4-methyl-3-pyridinyl) hypofluorite.

Molecular Properties

Compound Name(6-cyano-4-methyl-3-pyridinyl) hypofluorite
PubChem CID142338258
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name(6-cyano-4-methyl-3-pyridinyl) hypofluorite
SMILESCc1cc(C#N)ncc1OF
InChIInChI=1S/C7H5FN2O/c1-5-2-6(3-9)10-4-7(5)11-8/h2,4H,1H3
InChIKeyNICQYPLHFPMLFM-UHFFFAOYSA-N
XLogP1.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-cyano-4-methyl-3-pyridinyl) hypofluorite?
The IUPAC name of (6-cyano-4-methyl-3-pyridinyl) hypofluorite (CID 142338258) is (6-cyano-4-methyl-3-pyridinyl) hypofluorite.
What is the SMILES notation for (6-cyano-4-methyl-3-pyridinyl) hypofluorite?
The canonical SMILES for (6-cyano-4-methyl-3-pyridinyl) hypofluorite is Cc1cc(C#N)ncc1OF.
What is the InChIKey of (6-cyano-4-methyl-3-pyridinyl) hypofluorite?
The InChIKey is NICQYPLHFPMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c1-5-2-6(3-9)10-4-7(5)11-8/h2,4H,1H3.
What are the key properties of (6-cyano-4-methyl-3-pyridinyl) hypofluorite?
(6-cyano-4-methyl-3-pyridinyl) hypofluorite has a molecular weight of 152.13 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyano-4-methyl-3-pyridinyl) hypofluorite is sourced from PubChem (CID 142338258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).