4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile

C14H10F3N3 — CID 58360520

IUPAC4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESCN(c1ccnc(C#N)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3/c1-20(11-6-7-19-10(8-11)9-18)13-5-3-2-4-12(13)14(15,16)17/h2-8H,1H3
InChIKeyBQTXNOKFMYGLEV-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.74
Rot. Bonds2

About 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile

4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile (PubChem CID 58360520) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile
PubChem CID58360520
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile
SMILESCN(c1ccnc(C#N)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3/c1-20(11-6-7-19-10(8-11)9-18)13-5-3-2-4-12(13)14(15,16)17/h2-8H,1H3
InChIKeyBQTXNOKFMYGLEV-UHFFFAOYSA-N
XLogP3.74
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile (CID 58360520) is 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile is CN(c1ccnc(C#N)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
The InChIKey is BQTXNOKFMYGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-20(11-6-7-19-10(8-11)9-18)13-5-3-2-4-12(13)14(15,16)17/h2-8H,1H3.
What are the key properties of 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile?
4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 58360520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).