N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine

C11H13FN2O — CID 130747863

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NCC2=CCCOC2)n1
InChIInChI=1S/C11H13FN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,3-5H,2,6-8H2,(H,13,14)
InChIKeyVDCMRSKZHQHWAU-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.98
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine (PubChem CID 130747863) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine
PubChem CID130747863
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NCC2=CCCOC2)n1
InChIInChI=1S/C11H13FN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,3-5H,2,6-8H2,(H,13,14)
InChIKeyVDCMRSKZHQHWAU-UHFFFAOYSA-N
XLogP1.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine (CID 130747863) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine is Fc1cccc(NCC2=CCCOC2)n1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine?
The InChIKey is VDCMRSKZHQHWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-4-1-5-11(14-10)13-7-9-3-2-6-15-8-9/h1,3-5H,2,6-8H2,(H,13,14).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine has a molecular weight of 208.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 130747863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).