(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine

C7H8ClFN2 — CID 90451790

IUPAC(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cnc(Cl)c(F)c1
InChIInChI=1S/C7H8ClFN2/c1-4(10)5-2-6(9)7(8)11-3-5/h2-4H,10H2,1H3/t4-/m0/s1
InChIKeyCNVCUWIGILADAM-BYPYZUCNSA-N
MW174.61 g/mol
LogP1.89
Rot. Bonds1

About (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine

(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine (PubChem CID 90451790) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
PubChem CID90451790
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cnc(Cl)c(F)c1
InChIInChI=1S/C7H8ClFN2/c1-4(10)5-2-6(9)7(8)11-3-5/h2-4H,10H2,1H3/t4-/m0/s1
InChIKeyCNVCUWIGILADAM-BYPYZUCNSA-N
XLogP1.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine (CID 90451790) is (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine is C[C@H](N)c1cnc(Cl)c(F)c1.
What is the InChIKey of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is CNVCUWIGILADAM-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-4(10)5-2-6(9)7(8)11-3-5/h2-4H,10H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine?
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 174.61 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 90451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).