6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile

C9H4F3N3 — CID 43829356

IUPAC6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(C#N)n1
InChIInChI=1S/C9H4F3N3/c1-5-2-7(9(10,11)12)6(3-13)8(4-14)15-5/h2H,1H3
InChIKeyMSBHQWYLTHZAKP-UHFFFAOYSA-N
MW211.15 g/mol
LogP2.15
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile

6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile (PubChem CID 43829356) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
PubChem CID43829356
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(C#N)n1
InChIInChI=1S/C9H4F3N3/c1-5-2-7(9(10,11)12)6(3-13)8(4-14)15-5/h2H,1H3
InChIKeyMSBHQWYLTHZAKP-UHFFFAOYSA-N
XLogP2.15
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile?
The IUPAC name of 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile (CID 43829356) is 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(C#N)n1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile?
The InChIKey is MSBHQWYLTHZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c1-5-2-7(9(10,11)12)6(3-13)8(4-14)15-5/h2H,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile?
6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile has a molecular weight of 211.15 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)pyridine-2,3-dicarbonitrile is sourced from PubChem (CID 43829356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).