(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine

C8H10F2N2O — CID 55270524

IUPAC(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ncc(F)cc1F
InChIInChI=1S/C8H10F2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyGZWODYWDPZNKNW-SSDOTTSWSA-N
MW188.18 g/mol
LogP1.01
Rot. Bonds3

About (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine

(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine (PubChem CID 55270524) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine
PubChem CID55270524
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ncc(F)cc1F
InChIInChI=1S/C8H10F2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyGZWODYWDPZNKNW-SSDOTTSWSA-N
XLogP1.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine?
The IUPAC name of (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine (CID 55270524) is (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine is COC[C@@H](N)c1ncc(F)cc1F.
What is the InChIKey of (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine?
The InChIKey is GZWODYWDPZNKNW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-13-4-7(11)8-6(10)2-5(9)3-12-8/h2-3,7H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine?
(1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine has a molecular weight of 188.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 55270524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).