2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile

C14H13N3 — CID 82080460

IUPAC2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)c1ccc(N)cn1
InChIInChI=1S/C14H13N3/c1-10-4-2-3-5-12(10)13(8-15)14-7-6-11(16)9-17-14/h2-7,9,13H,16H2,1H3
InChIKeyGVAUBGZKFQKQDR-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.63
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile

2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile (PubChem CID 82080460) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile
PubChem CID82080460
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)c1ccc(N)cn1
InChIInChI=1S/C14H13N3/c1-10-4-2-3-5-12(10)13(8-15)14-7-6-11(16)9-17-14/h2-7,9,13H,16H2,1H3
InChIKeyGVAUBGZKFQKQDR-UHFFFAOYSA-N
XLogP2.63
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile (CID 82080460) is 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)c1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile?
The InChIKey is GVAUBGZKFQKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-4-2-3-5-12(10)13(8-15)14-7-6-11(16)9-17-14/h2-7,9,13H,16H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile?
2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 82080460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).