4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile

C13H10FN3 — CID 62938149

IUPAC4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
SMILESCN(c1ccc(F)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C13H10FN3/c1-17(12-4-2-10(14)3-5-12)13-6-7-16-11(8-13)9-15/h2-8H,1H3
InChIKeyVJMPLJLTUISWKS-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile

4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile (PubChem CID 62938149) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
PubChem CID62938149
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
SMILESCN(c1ccc(F)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C13H10FN3/c1-17(12-4-2-10(14)3-5-12)13-6-7-16-11(8-13)9-15/h2-8H,1H3
InChIKeyVJMPLJLTUISWKS-UHFFFAOYSA-N
XLogP2.86
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile (CID 62938149) is 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile is CN(c1ccc(F)cc1)c1ccnc(C#N)c1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile?
The InChIKey is VJMPLJLTUISWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-17(12-4-2-10(14)3-5-12)13-6-7-16-11(8-13)9-15/h2-8H,1H3.
What are the key properties of 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile?
4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62938149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).