3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile

C8H3F2N3 — CID 167515078

IUPAC3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
SMILESCc1c(F)c(C#N)nc(C#N)c1F
InChIInChI=1S/C8H3F2N3/c1-4-7(9)5(2-11)13-6(3-12)8(4)10/h1H3
InChIKeyGVPGBKVTXCAVET-UHFFFAOYSA-N
MW179.13 g/mol
LogP1.41
Rot. Bonds

About 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile

3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile (PubChem CID 167515078) has the molecular formula C8H3F2N3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
PubChem CID167515078
Molecular FormulaC8H3F2N3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
SMILESCc1c(F)c(C#N)nc(C#N)c1F
InChIInChI=1S/C8H3F2N3/c1-4-7(9)5(2-11)13-6(3-12)8(4)10/h1H3
InChIKeyGVPGBKVTXCAVET-UHFFFAOYSA-N
XLogP1.41
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile?
The IUPAC name of 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile (CID 167515078) is 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile.
What is the SMILES notation for 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile?
The canonical SMILES for 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile is Cc1c(F)c(C#N)nc(C#N)c1F.
What is the InChIKey of 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile?
The InChIKey is GVPGBKVTXCAVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2N3/c1-4-7(9)5(2-11)13-6(3-12)8(4)10/h1H3.
What are the key properties of 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile?
3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile has a molecular weight of 179.13 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile is sourced from PubChem (CID 167515078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).