2-anilinopyridine-4-carbonitrile

C12H9N3 — CID 24696970

IUPAC2-anilinopyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C12H9N3/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,(H,14,15)
InChIKeyUAIQYMSTGUYXIP-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.70
Rot. Bonds2

About 2-anilinopyridine-4-carbonitrile

2-anilinopyridine-4-carbonitrile (PubChem CID 24696970) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-anilinopyridine-4-carbonitrile.

Molecular Properties

Compound Name2-anilinopyridine-4-carbonitrile
PubChem CID24696970
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-anilinopyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C12H9N3/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,(H,14,15)
InChIKeyUAIQYMSTGUYXIP-UHFFFAOYSA-N
XLogP2.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilinopyridine-4-carbonitrile?
The IUPAC name of 2-anilinopyridine-4-carbonitrile (CID 24696970) is 2-anilinopyridine-4-carbonitrile.
What is the SMILES notation for 2-anilinopyridine-4-carbonitrile?
The canonical SMILES for 2-anilinopyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccccc2)c1.
What is the InChIKey of 2-anilinopyridine-4-carbonitrile?
The InChIKey is UAIQYMSTGUYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,(H,14,15).
What are the key properties of 2-anilinopyridine-4-carbonitrile?
2-anilinopyridine-4-carbonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopyridine-4-carbonitrile is sourced from PubChem (CID 24696970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).