2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile

C15H10FN3 — CID 79513741

IUPAC2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
SMILESCN(c1cccc(C#N)c1)c1cccc(F)c1C#N
InChIInChI=1S/C15H10FN3/c1-19(12-5-2-4-11(8-12)9-17)15-7-3-6-14(16)13(15)10-18/h2-8H,1H3
InChIKeyJPLOZHHICLPBEH-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.34
Rot. Bonds2

About 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile

2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile (PubChem CID 79513741) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
PubChem CID79513741
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
SMILESCN(c1cccc(C#N)c1)c1cccc(F)c1C#N
InChIInChI=1S/C15H10FN3/c1-19(12-5-2-4-11(8-12)9-17)15-7-3-6-14(16)13(15)10-18/h2-8H,1H3
InChIKeyJPLOZHHICLPBEH-UHFFFAOYSA-N
XLogP3.34
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile (CID 79513741) is 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile is CN(c1cccc(C#N)c1)c1cccc(F)c1C#N.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile?
The InChIKey is JPLOZHHICLPBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-19(12-5-2-4-11(8-12)9-17)15-7-3-6-14(16)13(15)10-18/h2-8H,1H3.
What are the key properties of 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile?
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 79513741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).