(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile

C8H8BrN3 — CID 130673269

IUPAC(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccc(Br)cn1
InChIInChI=1S/C8H8BrN3/c9-6-1-2-8(12-5-6)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1
InChIKeyFJKPVWBIXAXFQC-SSDOTTSWSA-N
MW226.08 g/mol
LogP1.76
Rot. Bonds2

About (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile

(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile (PubChem CID 130673269) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
PubChem CID130673269
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ccc(Br)cn1
InChIInChI=1S/C8H8BrN3/c9-6-1-2-8(12-5-6)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1
InChIKeyFJKPVWBIXAXFQC-SSDOTTSWSA-N
XLogP1.76
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486
(1S)-1-(5-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171222795
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
(3S)-3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 156774026
3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 166644076
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
(3S)-3-amino-3-(5-bromo-2-chloro-3-pyridinyl)propanenitrile
CID 130740097
3-amino-3-(2H-triazol-4-yl)propanenitrile
CID 90050590
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
(3S)-3-amino-3-(2-amino-4-bromophenyl)propanenitrile
CID 130634465

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile (CID 130673269) is (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile is N#CC[C@@H](N)c1ccc(Br)cn1.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile?
The InChIKey is FJKPVWBIXAXFQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8BrN3/c9-6-1-2-8(12-5-6)7(11)3-4-10/h1-2,5,7H,3,11H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile?
(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile has a molecular weight of 226.08 g/mol, XLogP of 1.76, 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-(5-bromo-2-pyridinyl)propanenitrile is sourced from PubChem (CID 130673269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).