2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine

C15H15FN2O — CID 118192448

IUPAC2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCc1cc2c(cc1N)OC(c1ncccc1F)CC2
InChIInChI=1S/C15H15FN2O/c1-9-7-10-4-5-13(19-14(10)8-12(9)17)15-11(16)3-2-6-18-15/h2-3,6-8,13H,4-5,17H2,1H3
InChIKeyFPZLUTOLWBZNDS-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine

2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine (PubChem CID 118192448) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine
PubChem CID118192448
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCc1cc2c(cc1N)OC(c1ncccc1F)CC2
InChIInChI=1S/C15H15FN2O/c1-9-7-10-4-5-13(19-14(10)8-12(9)17)15-11(16)3-2-6-18-15/h2-3,6-8,13H,4-5,17H2,1H3
InChIKeyFPZLUTOLWBZNDS-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine (CID 118192448) is 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine is Cc1cc2c(cc1N)OC(c1ncccc1F)CC2.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is FPZLUTOLWBZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-7-10-4-5-13(19-14(10)8-12(9)17)15-11(16)3-2-6-18-15/h2-3,6-8,13H,4-5,17H2,1H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine?
2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 258.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-6-methyl-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 118192448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).