4-(5-amino-3-pyridinyl)-3-methylbenzonitrile

C13H11N3 — CID 68614352

IUPAC4-(5-amino-3-pyridinyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1cncc(N)c1
InChIInChI=1S/C13H11N3/c1-9-4-10(6-14)2-3-13(9)11-5-12(15)8-16-7-11/h2-5,7-8H,15H2,1H3
InChIKeyOFZXLLYRRLKBOZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.51
Rot. Bonds1

About 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile

4-(5-amino-3-pyridinyl)-3-methylbenzonitrile (PubChem CID 68614352) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)-3-methylbenzonitrile
PubChem CID68614352
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-(5-amino-3-pyridinyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1cncc(N)c1
InChIInChI=1S/C13H11N3/c1-9-4-10(6-14)2-3-13(9)11-5-12(15)8-16-7-11/h2-5,7-8H,15H2,1H3
InChIKeyOFZXLLYRRLKBOZ-UHFFFAOYSA-N
XLogP2.51
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile?
The IUPAC name of 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile (CID 68614352) is 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile?
The canonical SMILES for 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1cncc(N)c1.
What is the InChIKey of 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile?
The InChIKey is OFZXLLYRRLKBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-4-10(6-14)2-3-13(9)11-5-12(15)8-16-7-11/h2-5,7-8H,15H2,1H3.
What are the key properties of 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile?
4-(5-amino-3-pyridinyl)-3-methylbenzonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)-3-methylbenzonitrile is sourced from PubChem (CID 68614352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).