[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine

C14H13FN2O — CID 167169210

IUPAC[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
SMILESNC[C@@H]1Cc2ncccc2Oc2cccc(F)c21
InChIInChI=1S/C14H13FN2O/c15-10-3-1-4-13-14(10)9(8-16)7-11-12(18-13)5-2-6-17-11/h1-6,9H,7-8,16H2/t9-/m0/s1
InChIKeyNKTNITNVQWYGMO-VIFPVBQESA-N
MW244.27 g/mol
LogP2.61
Rot. Bonds1

About [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine

[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine (PubChem CID 167169210) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
PubChem CID167169210
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
SMILESNC[C@@H]1Cc2ncccc2Oc2cccc(F)c21
InChIInChI=1S/C14H13FN2O/c15-10-3-1-4-13-14(10)9(8-16)7-11-12(18-13)5-2-6-17-11/h1-6,9H,7-8,16H2/t9-/m0/s1
InChIKeyNKTNITNVQWYGMO-VIFPVBQESA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The IUPAC name of [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine (CID 167169210) is [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine.
What is the SMILES notation for [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The canonical SMILES for [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine is NC[C@@H]1Cc2ncccc2Oc2cccc(F)c21.
What is the InChIKey of [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
The InChIKey is NKTNITNVQWYGMO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13FN2O/c15-10-3-1-4-13-14(10)9(8-16)7-11-12(18-13)5-2-6-17-11/h1-6,9H,7-8,16H2/t9-/m0/s1.
What are the key properties of [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine?
[(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine has a molecular weight of 244.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-7-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine is sourced from PubChem (CID 167169210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).