(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride

C8H9BrClN3 — CID 171259817

IUPAC(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cncc(Br)c1
InChIInChI=1S/C8H8BrN3.ClH/c9-7-3-6(4-12-5-7)8(11)1-2-10;/h3-5,8H,1,11H2;1H/t8-;/m0./s1
InChIKeyMMPFXTXHFJIHHL-QRPNPIFTSA-N
MW262.54 g/mol
LogP2.18
Rot. Bonds2

About (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride

(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride (PubChem CID 171259817) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
PubChem CID171259817
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cncc(Br)c1
InChIInChI=1S/C8H8BrN3.ClH/c9-7-3-6(4-12-5-7)8(11)1-2-10;/h3-5,8H,1,11H2;1H/t8-;/m0./s1
InChIKeyMMPFXTXHFJIHHL-QRPNPIFTSA-N
XLogP2.18
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)propanenitrile;hydrochloride
CID 171260409
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
CID 55276539
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
CID 171259888

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride (CID 171259817) is (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride is Cl.N#CC[C@H](N)c1cncc(Br)c1.
What is the InChIKey of (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride?
The InChIKey is MMPFXTXHFJIHHL-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H8BrN3.ClH/c9-7-3-6(4-12-5-7)8(11)1-2-10;/h3-5,8H,1,11H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride?
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride has a molecular weight of 262.54 g/mol, XLogP of 2.18, 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-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride is sourced from PubChem (CID 171259817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).