3-(4-amino-3-pyridinyl)benzonitrile

C12H9N3 — CID 79004011

IUPAC3-(4-amino-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cnccc2N)c1
InChIInChI=1S/C12H9N3/c13-7-9-2-1-3-10(6-9)11-8-15-5-4-12(11)14/h1-6,8H,(H2,14,15)
InChIKeyLNGVLHFUEKNJLQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.20
Rot. Bonds1

About 3-(4-amino-3-pyridinyl)benzonitrile

3-(4-amino-3-pyridinyl)benzonitrile (PubChem CID 79004011) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)benzonitrile
PubChem CID79004011
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name3-(4-amino-3-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cnccc2N)c1
InChIInChI=1S/C12H9N3/c13-7-9-2-1-3-10(6-9)11-8-15-5-4-12(11)14/h1-6,8H,(H2,14,15)
InChIKeyLNGVLHFUEKNJLQ-UHFFFAOYSA-N
XLogP2.20
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)benzonitrile?
The IUPAC name of 3-(4-amino-3-pyridinyl)benzonitrile (CID 79004011) is 3-(4-amino-3-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)benzonitrile?
The canonical SMILES for 3-(4-amino-3-pyridinyl)benzonitrile is N#Cc1cccc(-c2cnccc2N)c1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)benzonitrile?
The InChIKey is LNGVLHFUEKNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-7-9-2-1-3-10(6-9)11-8-15-5-4-12(11)14/h1-6,8H,(H2,14,15).
What are the key properties of 3-(4-amino-3-pyridinyl)benzonitrile?
3-(4-amino-3-pyridinyl)benzonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)benzonitrile is sourced from PubChem (CID 79004011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).