2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile

C9H11N3 — CID 131186130

IUPAC2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile
SMILESC[C@@H](N)c1ccc(CC#N)cn1
InChIInChI=1S/C9H11N3/c1-7(11)9-3-2-8(4-5-10)6-12-9/h2-3,6-7H,4,11H2,1H3/t7-/m1/s1
InChIKeyDZXUCMUNVMLGSS-SSDOTTSWSA-N
MW161.21 g/mol
LogP1.17
Rot. Bonds2

About 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile

2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile (PubChem CID 131186130) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile
PubChem CID131186130
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile
SMILESC[C@@H](N)c1ccc(CC#N)cn1
InChIInChI=1S/C9H11N3/c1-7(11)9-3-2-8(4-5-10)6-12-9/h2-3,6-7H,4,11H2,1H3/t7-/m1/s1
InChIKeyDZXUCMUNVMLGSS-SSDOTTSWSA-N
XLogP1.17
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
CID 83126884
[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
CID 131171813
(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile
CID 129389482
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
2-[6-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]acetonitrile
CID 118815019
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 127263938
2-[6-(4-tert-butylphenyl)-3-pyridinyl]acetonitrile
CID 67155708
2-(6-pyridin-2-yl-3-pyridinyl)acetonitrile
CID 121008779
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
CID 83124142
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile (CID 131186130) is 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile is C[C@@H](N)c1ccc(CC#N)cn1.
What is the InChIKey of 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile?
The InChIKey is DZXUCMUNVMLGSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(11)9-3-2-8(4-5-10)6-12-9/h2-3,6-7H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile?
2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 131186130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).