5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile

C9H9FN2O — CID 90143685

IUPAC5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(F)c(C)n(C)c(=O)c1C#N
InChIInChI=1S/C9H9FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h1-3H3
InChIKeyOJWUNQFFBITCKA-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.01
Rot. Bonds

About 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile

5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 90143685) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
PubChem CID90143685
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(F)c(C)n(C)c(=O)c1C#N
InChIInChI=1S/C9H9FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h1-3H3
InChIKeyOJWUNQFFBITCKA-UHFFFAOYSA-N
XLogP1.01
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile (CID 90143685) is 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile is Cc1c(F)c(C)n(C)c(=O)c1C#N.
What is the InChIKey of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OJWUNQFFBITCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-7(4-11)9(13)12(3)6(2)8(5)10/h1-3H3.
What are the key properties of 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile?
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 180.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 90143685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).