3-(pyridin-2-ylamino)propanenitrile;hydrochloride

C8H10ClN3 — CID 139578245

IUPAC3-(pyridin-2-ylamino)propanenitrile;hydrochloride
SMILESCl.N#CCCNc1ccccn1
InChIInChI=1S/C8H9N3.ClH/c9-5-3-7-11-8-4-1-2-6-10-8;/h1-2,4,6H,3,7H2,(H,10,11);1H
InChIKeyKYJUUWVBQMPIJB-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.83
Rot. Bonds3

About 3-(pyridin-2-ylamino)propanenitrile;hydrochloride

3-(pyridin-2-ylamino)propanenitrile;hydrochloride (PubChem CID 139578245) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-(pyridin-2-ylamino)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(pyridin-2-ylamino)propanenitrile;hydrochloride
PubChem CID139578245
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-(pyridin-2-ylamino)propanenitrile;hydrochloride
SMILESCl.N#CCCNc1ccccn1
InChIInChI=1S/C8H9N3.ClH/c9-5-3-7-11-8-4-1-2-6-10-8;/h1-2,4,6H,3,7H2,(H,10,11);1H
InChIKeyKYJUUWVBQMPIJB-UHFFFAOYSA-N
XLogP1.83
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pent-4-ynylpyridin-2-amine
CID 103704473
3-(pyrimidin-2-ylamino)propanenitrile
CID 131130388
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-butylpyridin-2-amine
CID 14322668
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N'-pyridin-2-ylmethanediamine
CID 115225472
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylamino)propanenitrile;hydrochloride?
The IUPAC name of 3-(pyridin-2-ylamino)propanenitrile;hydrochloride (CID 139578245) is 3-(pyridin-2-ylamino)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(pyridin-2-ylamino)propanenitrile;hydrochloride?
The canonical SMILES for 3-(pyridin-2-ylamino)propanenitrile;hydrochloride is Cl.N#CCCNc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylamino)propanenitrile;hydrochloride?
The InChIKey is KYJUUWVBQMPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.ClH/c9-5-3-7-11-8-4-1-2-6-10-8;/h1-2,4,6H,3,7H2,(H,10,11);1H.
What are the key properties of 3-(pyridin-2-ylamino)propanenitrile;hydrochloride?
3-(pyridin-2-ylamino)propanenitrile;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylamino)propanenitrile;hydrochloride is sourced from PubChem (CID 139578245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).