1-(3-chloro-2-pyridinyl)ethanamine

C7H9ClN2 — CID 55293259

IUPAC1-(3-chloro-2-pyridinyl)ethanamine
SMILESCC(N)c1ncccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3
InChIKeyLQNYOSWQUKAKNL-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.75
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)ethanamine

1-(3-chloro-2-pyridinyl)ethanamine (PubChem CID 55293259) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)ethanamine
PubChem CID55293259
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name1-(3-chloro-2-pyridinyl)ethanamine
SMILESCC(N)c1ncccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3
InChIKeyLQNYOSWQUKAKNL-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)ethanamine (CID 55293259) is 1-(3-chloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)ethanamine is CC(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)ethanamine?
The InChIKey is LQNYOSWQUKAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)ethanamine?
1-(3-chloro-2-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-(3-chloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 55293259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).