4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile

C13H9F2N3 — CID 82818029

IUPAC4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(F)c(Nc2ccnc(C#N)c2)c1F
InChIInChI=1S/C13H9F2N3/c1-8-2-3-11(14)13(12(8)15)18-9-4-5-17-10(6-9)7-16/h2-6H,1H3,(H,17,18)
InChIKeyVVXAXHXULHSPMI-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.28
Rot. Bonds2

About 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile

4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile (PubChem CID 82818029) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
PubChem CID82818029
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(F)c(Nc2ccnc(C#N)c2)c1F
InChIInChI=1S/C13H9F2N3/c1-8-2-3-11(14)13(12(8)15)18-9-4-5-17-10(6-9)7-16/h2-6H,1H3,(H,17,18)
InChIKeyVVXAXHXULHSPMI-UHFFFAOYSA-N
XLogP3.28
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile (CID 82818029) is 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile is Cc1ccc(F)c(Nc2ccnc(C#N)c2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
The InChIKey is VVXAXHXULHSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c1-8-2-3-11(14)13(12(8)15)18-9-4-5-17-10(6-9)7-16/h2-6H,1H3,(H,17,18).
What are the key properties of 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile?
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 82818029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).