1-(6-chloro-3-pyridinyl)ethanamine

C7H9ClN2 — CID 15745605

IUPAC1-(6-chloro-3-pyridinyl)ethanamine
SMILESCC(N)c1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
InChIKeyOZVNENIAEVSUDT-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.75
Rot. Bonds1

About 1-(6-chloro-3-pyridinyl)ethanamine

1-(6-chloro-3-pyridinyl)ethanamine (PubChem CID 15745605) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)ethanamine
PubChem CID15745605
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-(6-chloro-3-pyridinyl)ethanamine
SMILESCC(N)c1ccc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
InChIKeyOZVNENIAEVSUDT-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.75
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

Anabasine
CID 205586
Epibatidine
CID 854023
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
CID 213021
Rivanicline
CID 5310967
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
2-Chloropyridine
CID 7977
(-)-Anatabine
CID 11388
4-Pyridinemethanamine
CID 77317

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)ethanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)ethanamine (CID 15745605) is 1-(6-chloro-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)ethanamine is CC(N)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)ethanamine?
The InChIKey is OZVNENIAEVSUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)ethanamine?
1-(6-chloro-3-pyridinyl)ethanamine has a molecular weight of 156.62 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)ethanamine is sourced from PubChem (CID 15745605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).