3-amino-3-(6-chloro-2-pyridinyl)propanenitrile

C8H8ClN3 — CID 55294253

IUPAC3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
SMILESN#CCC(N)c1cccc(Cl)n1
InChIInChI=1S/C8H8ClN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2
InChIKeySWYPVYCJKRQQBJ-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.65
Rot. Bonds2

About 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile

3-amino-3-(6-chloro-2-pyridinyl)propanenitrile (PubChem CID 55294253) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
PubChem CID55294253
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name3-amino-3-(6-chloro-2-pyridinyl)propanenitrile
SMILESN#CCC(N)c1cccc(Cl)n1
InChIInChI=1S/C8H8ClN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2
InChIKeySWYPVYCJKRQQBJ-UHFFFAOYSA-N
XLogP1.65
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.65
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-(6-iodo-2-pyridinyl)propanenitrile
CID 130737698
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
1-(6-chloro-2-pyridinyl)but-3-en-1-amine
CID 55294039
1-(6-chloro-2-pyridinyl)-2-methoxyethanamine
CID 55272790
3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
1-(6-chloro-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 19973560
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756
(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55273929
2-amino-1-(6-chloro-2-pyridinyl)ethanol
CID 14578852
(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
3-amino-3-(2-chloro-3-iodophenyl)propanenitrile
CID 130043829
(1S,2S)-1-amino-1-(6-chloro-2-pyridinyl)propan-2-ol
CID 55271430

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile?
The IUPAC name of 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile (CID 55294253) is 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile.
What is the SMILES notation for 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile?
The canonical SMILES for 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile is N#CCC(N)c1cccc(Cl)n1.
What is the InChIKey of 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile?
The InChIKey is SWYPVYCJKRQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2.
What are the key properties of 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile?
3-amino-3-(6-chloro-2-pyridinyl)propanenitrile has a molecular weight of 181.63 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-chloro-2-pyridinyl)propanenitrile is sourced from PubChem (CID 55294253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).