3-(6-amino-4-methyl-3-pyridinyl)benzonitrile

C13H11N3 — CID 79020234

IUPAC3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
SMILESCc1cc(N)ncc1-c1cccc(C#N)c1
InChIInChI=1S/C13H11N3/c1-9-5-13(15)16-8-12(9)11-4-2-3-10(6-11)7-14/h2-6,8H,1H3,(H2,15,16)
InChIKeyOXKZLAISJHVBHD-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.51
Rot. Bonds1

About 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile

3-(6-amino-4-methyl-3-pyridinyl)benzonitrile (PubChem CID 79020234) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
PubChem CID79020234
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
SMILESCc1cc(N)ncc1-c1cccc(C#N)c1
InChIInChI=1S/C13H11N3/c1-9-5-13(15)16-8-12(9)11-4-2-3-10(6-11)7-14/h2-6,8H,1H3,(H2,15,16)
InChIKeyOXKZLAISJHVBHD-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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Related Compounds

4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061
4-methyl-5-(4-phenylphenyl)pyridin-2-amine
CID 79729519
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 79730248
4-methyl-5-(2-methylphenyl)pyridin-2-amine
CID 79729422
3-(5-bromo-4-methylthiophen-2-yl)benzonitrile
CID 132540534
3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
CID 82389497
4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile
CID 172544102
3-(1,5-diaminoimidazol-4-yl)benzonitrile
CID 62481562
3-(2-chloro-5-methylphenyl)benzonitrile
CID 70699759
3-(2-amino-4-fluorophenyl)benzonitrile
CID 107626378

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile?
The IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile (CID 79020234) is 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile is Cc1cc(N)ncc1-c1cccc(C#N)c1.
What is the InChIKey of 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile?
The InChIKey is OXKZLAISJHVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-5-13(15)16-8-12(9)11-4-2-3-10(6-11)7-14/h2-6,8H,1H3,(H2,15,16).
What are the key properties of 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile?
3-(6-amino-4-methyl-3-pyridinyl)benzonitrile 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 3-(6-amino-4-methyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 79020234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).