(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride

C8H9Cl2N3 — CID 171260290

IUPAC(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C8H8ClN3.ClH/c9-8-6(2-1-5-12-8)7(11)3-4-10;/h1-2,5,7H,3,11H2;1H/t7-;/m1./s1
InChIKeyPNROCCSMFNQFQW-OGFXRTJISA-N
MW218.09 g/mol
LogP2.07
Rot. Bonds2

About (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride

(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride (PubChem CID 171260290) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
PubChem CID171260290
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cccnc1Cl
InChIInChI=1S/C8H8ClN3.ClH/c9-8-6(2-1-5-12-8)7(11)3-4-10;/h1-2,5,7H,3,11H2;1H/t7-;/m1./s1
InChIKeyPNROCCSMFNQFQW-OGFXRTJISA-N
XLogP2.07
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-[2-(dimethylamino)-3-pyridinyl]propanenitrile
CID 130671808
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(3S)-3-amino-3-(5-bromo-2-chloro-3-pyridinyl)propanenitrile
CID 130740097
(3R)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanenitrile
CID 55273941
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
(3S)-3-amino-3-(4-amino-2-chloro-3-pyridinyl)propanenitrile
CID 131072188
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
3-amino-3-(2-chloro-5-methyl-3-pyridinyl)propanenitrile
CID 55270160
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride (CID 171260290) is (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride is Cl.N#CC[C@@H](N)c1cccnc1Cl.
What is the InChIKey of (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride?
The InChIKey is PNROCCSMFNQFQW-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8ClN3.ClH/c9-8-6(2-1-5-12-8)7(11)3-4-10;/h1-2,5,7H,3,11H2;1H/t7-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride has a molecular weight of 218.09 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride is sourced from PubChem (CID 171260290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).