(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride

C8H10ClN3 — CID 171259888

IUPAC(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cccnc1
InChIInChI=1S/C8H9N3.ClH/c9-4-3-8(10)7-2-1-5-11-6-7;/h1-2,5-6,8H,3,10H2;1H/t8-;/m0./s1
InChIKeySXFBKFXWKHQAOD-QRPNPIFTSA-N
MW183.64 g/mol
LogP1.42
Rot. Bonds2

About (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride

(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride (PubChem CID 171259888) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
PubChem CID171259888
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cccnc1
InChIInChI=1S/C8H9N3.ClH/c9-4-3-8(10)7-2-1-5-11-6-7;/h1-2,5-6,8H,3,10H2;1H/t8-;/m0./s1
InChIKeySXFBKFXWKHQAOD-QRPNPIFTSA-N
XLogP1.42
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride?
The IUPAC name of (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride (CID 171259888) is (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride is Cl.N#CC[C@H](N)c1cccnc1.
What is the InChIKey of (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride?
The InChIKey is SXFBKFXWKHQAOD-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H9N3.ClH/c9-4-3-8(10)7-2-1-5-11-6-7;/h1-2,5-6,8H,3,10H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride?
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride is sourced from PubChem (CID 171259888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).