(1S)-1-furo[2,3-b]pyridin-5-ylethanamine

C9H10N2O — CID 122237100

IUPAC(1S)-1-furo[2,3-b]pyridin-5-ylethanamine
SMILESC[C@H](N)c1cnc2occc2c1
InChIInChI=1S/C9H10N2O/c1-6(10)8-4-7-2-3-12-9(7)11-5-8/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeyJPHVNVKEVBYNMP-LURJTMIESA-N
MW162.19 g/mol
LogP1.85
Rot. Bonds1

About (1S)-1-furo[2,3-b]pyridin-5-ylethanamine

(1S)-1-furo[2,3-b]pyridin-5-ylethanamine (PubChem CID 122237100) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S)-1-furo[2,3-b]pyridin-5-ylethanamine.

Molecular Properties

Compound Name(1S)-1-furo[2,3-b]pyridin-5-ylethanamine
PubChem CID122237100
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(1S)-1-furo[2,3-b]pyridin-5-ylethanamine
SMILESC[C@H](N)c1cnc2occc2c1
InChIInChI=1S/C9H10N2O/c1-6(10)8-4-7-2-3-12-9(7)11-5-8/h2-6H,10H2,1H3/t6-/m0/s1
InChIKeyJPHVNVKEVBYNMP-LURJTMIESA-N
XLogP1.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-furo[2,3-b]pyridin-5-ylethanamine?
The IUPAC name of (1S)-1-furo[2,3-b]pyridin-5-ylethanamine (CID 122237100) is (1S)-1-furo[2,3-b]pyridin-5-ylethanamine.
What is the SMILES notation for (1S)-1-furo[2,3-b]pyridin-5-ylethanamine?
The canonical SMILES for (1S)-1-furo[2,3-b]pyridin-5-ylethanamine is C[C@H](N)c1cnc2occc2c1.
What is the InChIKey of (1S)-1-furo[2,3-b]pyridin-5-ylethanamine?
The InChIKey is JPHVNVKEVBYNMP-LURJTMIESA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(10)8-4-7-2-3-12-9(7)11-5-8/h2-6H,10H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-furo[2,3-b]pyridin-5-ylethanamine?
(1S)-1-furo[2,3-b]pyridin-5-ylethanamine has a molecular weight of 162.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-furo[2,3-b]pyridin-5-ylethanamine is sourced from PubChem (CID 122237100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).