2-(2-amino-4-pyridinyl)acetonitrile

C7H7N3 — CID 45382143

IUPAC2-(2-amino-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(N)c1
InChIInChI=1S/C7H7N3/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1H2,(H2,9,10)
InChIKeyWSFXXEKYYWBKOM-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.73
Rot. Bonds1

About 2-(2-amino-4-pyridinyl)acetonitrile

2-(2-amino-4-pyridinyl)acetonitrile (PubChem CID 45382143) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)acetonitrile
PubChem CID45382143
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name2-(2-amino-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(N)c1
InChIInChI=1S/C7H7N3/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1H2,(H2,9,10)
InChIKeyWSFXXEKYYWBKOM-UHFFFAOYSA-N
XLogP0.73
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-trimethylsilyl-4-pyridinyl)acetonitrile
CID 175447019
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
ethane;4-ethylpyridin-2-amine
CID 144736585
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
CID 143465794
2-(2-nitro-4-pyridinyl)acetonitrile
CID 142662159
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001916
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-amino-4-pyridinyl)acetonitrile (CID 45382143) is 2-(2-amino-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-amino-4-pyridinyl)acetonitrile is N#CCc1ccnc(N)c1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)acetonitrile?
The InChIKey is WSFXXEKYYWBKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-3-1-6-2-4-10-7(9)5-6/h2,4-5H,1H2,(H2,9,10).
What are the key properties of 2-(2-amino-4-pyridinyl)acetonitrile?
2-(2-amino-4-pyridinyl)acetonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)acetonitrile is sourced from PubChem (CID 45382143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).