3-(6-chloro-3-pyridinyl)propan-1-amine

C8H11ClN2 — CID 55266359

IUPAC3-(6-chloro-3-pyridinyl)propan-1-amine
SMILESNCCCc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2
InChIKeyWJFUHAOXOUEQHL-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.63
Rot. Bonds3

About 3-(6-chloro-3-pyridinyl)propan-1-amine

3-(6-chloro-3-pyridinyl)propan-1-amine (PubChem CID 55266359) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)propan-1-amine
PubChem CID55266359
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-(6-chloro-3-pyridinyl)propan-1-amine
SMILESNCCCc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2
InChIKeyWJFUHAOXOUEQHL-UHFFFAOYSA-N
XLogP1.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
2-chloro-5-(10,10,10-trifluorodecyl)pyridine
CID 152535807
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
2-chloro-5-(iodomethyl)pyridine
CID 11149463
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
triazanium;7-(6-chloro-3-pyridinyl)heptylazanium;methanesulfonate
CID 139621052
2,6-diamino-N-[(6-chloro-3-pyridinyl)methyl]hexanamide
CID 90860772
N-(4-aminobutyl)-N'-[(6-chloro-3-pyridinyl)methyl]-N-methylmethanimidamide;ethane
CID 142961880

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)propan-1-amine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)propan-1-amine (CID 55266359) is 3-(6-chloro-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)propan-1-amine is NCCCc1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)propan-1-amine?
The InChIKey is WJFUHAOXOUEQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2.
What are the key properties of 3-(6-chloro-3-pyridinyl)propan-1-amine?
3-(6-chloro-3-pyridinyl)propan-1-amine has a molecular weight of 170.64 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 55266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).