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

C7H9ClN2 — CID 103663393

IUPAC(1S)-1-(3-chloro-2-pyridinyl)ethanamine
SMILESC[C@H](N)c1ncccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyLQNYOSWQUKAKNL-YFKPBYRVSA-N
MW156.62 g/mol
LogP1.75
Rot. Bonds1

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

(1S)-1-(3-chloro-2-pyridinyl)ethanamine (PubChem CID 103663393) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-pyridinyl)ethanamine
PubChem CID103663393
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name(1S)-1-(3-chloro-2-pyridinyl)ethanamine
SMILESC[C@H](N)c1ncccc1Cl
InChIInChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyLQNYOSWQUKAKNL-YFKPBYRVSA-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

Analyze (1S)-1-(3-chloro-2-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(3-chloro-2-pyridinyl)ethanamine (CID 103663393) is (1S)-1-(3-chloro-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chloro-2-pyridinyl)ethanamine is C[C@H](N)c1ncccc1Cl.
What is the InChIKey of (1S)-1-(3-chloro-2-pyridinyl)ethanamine?
The InChIKey is LQNYOSWQUKAKNL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(9)7-6(8)3-2-4-10-7/h2-5H,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-2-pyridinyl)ethanamine?
(1S)-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 (1S)-1-(3-chloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 103663393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).