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

C8H9N3 — CID 131348477

IUPAC2-amino-2-(4-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccnc(C(N)C#N)c1
InChIInChI=1S/C8H9N3/c1-6-2-3-11-8(4-6)7(10)5-9/h2-4,7H,10H2,1H3
InChIKeyHYEBDEZLECILFD-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.91
Rot. Bonds1

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

2-amino-2-(4-methyl-2-pyridinyl)acetonitrile (PubChem CID 131348477) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-methyl-2-pyridinyl)acetonitrile
PubChem CID131348477
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-amino-2-(4-methyl-2-pyridinyl)acetonitrile
SMILESCc1ccnc(C(N)C#N)c1
InChIInChI=1S/C8H9N3/c1-6-2-3-11-8(4-6)7(10)5-9/h2-4,7H,10H2,1H3
InChIKeyHYEBDEZLECILFD-UHFFFAOYSA-N
XLogP0.91
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840530
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
(4-methyl-2-pyridinyl)-phenylmethanamine
CID 571849
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(4-methyl-2-pyridinyl)propan-1-amine
CID 82594772
(2,5-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840951
2-ethoxy-1-(4-methyl-2-pyridinyl)ethanamine
CID 79575554
(3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 55256587
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642
4,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 63840384
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile (CID 131348477) is 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile is Cc1ccnc(C(N)C#N)c1.
What is the InChIKey of 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile?
The InChIKey is HYEBDEZLECILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-2-3-11-8(4-6)7(10)5-9/h2-4,7H,10H2,1H3.
What are the key properties of 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile?
2-amino-2-(4-methyl-2-pyridinyl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131348477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).