(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride

C7H10ClFN2 — CID 53487490

IUPAC(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ncccc1F.Cl
InChIInChI=1S/C7H9FN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyMPEHHZCSUKROFX-JEDNCBNOSA-N
MW176.62 g/mol
LogP1.66
Rot. Bonds1

About (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride

(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 53487490) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
PubChem CID53487490
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ncccc1F.Cl
InChIInChI=1S/C7H9FN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1
InChIKeyMPEHHZCSUKROFX-JEDNCBNOSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride (CID 53487490) is (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride is C[C@H](N)c1ncccc1F.Cl.
What is the InChIKey of (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is MPEHHZCSUKROFX-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H9FN2.ClH/c1-5(9)7-6(8)3-2-4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride?
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 176.62 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 53487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).