8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine

C15H15ClN2O2 — CID 135373550

IUPAC8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cc(Oc2cccc3c2OCC(N)C3)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-5-12(7-18-15(9)16)20-13-4-2-3-10-6-11(17)8-19-14(10)13/h2-5,7,11H,6,8,17H2,1H3
InChIKeyXXCKRLOHLXLJAK-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.10
Rot. Bonds2

About 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine

8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 135373550) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
PubChem CID135373550
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCc1cc(Oc2cccc3c2OCC(N)C3)cnc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-5-12(7-18-15(9)16)20-13-4-2-3-10-6-11(17)8-19-14(10)13/h2-5,7,11H,6,8,17H2,1H3
InChIKeyXXCKRLOHLXLJAK-UHFFFAOYSA-N
XLogP3.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine (CID 135373550) is 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine is Cc1cc(Oc2cccc3c2OCC(N)C3)cnc1Cl.
What is the InChIKey of 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is XXCKRLOHLXLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-5-12(7-18-15(9)16)20-13-4-2-3-10-6-11(17)8-19-14(10)13/h2-5,7,11H,6,8,17H2,1H3.
What are the key properties of 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine?
8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 290.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 135373550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).