6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine

C11H13FN2O — CID 171579635

IUPAC6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine
SMILESNc1cnc(OC2CC3C[C@H]3C2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-4-8(13)5-14-11(10)15-9-2-6-1-7(6)3-9/h4-7,9H,1-3,13H2/t6-,7?,9?/m0/s1
InChIKeyQNTSRSPASRKIBT-PTNSZRNDSA-N
MW208.24 g/mol
LogP1.98
Rot. Bonds2

About 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine

6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine (PubChem CID 171579635) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine
PubChem CID171579635
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine
SMILESNc1cnc(OC2CC3C[C@H]3C2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-4-8(13)5-14-11(10)15-9-2-6-1-7(6)3-9/h4-7,9H,1-3,13H2/t6-,7?,9?/m0/s1
InChIKeyQNTSRSPASRKIBT-PTNSZRNDSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine?
The IUPAC name of 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine (CID 171579635) is 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine.
What is the SMILES notation for 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine?
The canonical SMILES for 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine is Nc1cnc(OC2CC3C[C@H]3C2)c(F)c1.
What is the InChIKey of 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine?
The InChIKey is QNTSRSPASRKIBT-PTNSZRNDSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-4-8(13)5-14-11(10)15-9-2-6-1-7(6)3-9/h4-7,9H,1-3,13H2/t6-,7?,9?/m0/s1.
What are the key properties of 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine?
6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine has a molecular weight of 208.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-5-fluoropyridin-3-amine is sourced from PubChem (CID 171579635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).