[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol

C15H15ClN2O2 — CID 114920488

IUPAC[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol
SMILESOCc1cc(N2CCCOc3ccccc32)ncc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-12-9-17-15(8-11(12)10-19)18-6-3-7-20-14-5-2-1-4-13(14)18/h1-2,4-5,8-9,19H,3,6-7,10H2
InChIKeyUYOMZNQINCLVPE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.15
Rot. Bonds2

About [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol

[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol (PubChem CID 114920488) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol
PubChem CID114920488
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol
SMILESOCc1cc(N2CCCOc3ccccc32)ncc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-12-9-17-15(8-11(12)10-19)18-6-3-7-20-14-5-2-1-4-13(14)18/h1-2,4-5,8-9,19H,3,6-7,10H2
InChIKeyUYOMZNQINCLVPE-UHFFFAOYSA-N
XLogP3.15
TPSA45.59 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol (CID 114920488) is [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol is OCc1cc(N2CCCOc3ccccc32)ncc1Cl.
What is the InChIKey of [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol?
The InChIKey is UYOMZNQINCLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-9-17-15(8-11(12)10-19)18-6-3-7-20-14-5-2-1-4-13(14)18/h1-2,4-5,8-9,19H,3,6-7,10H2.
What are the key properties of [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol?
[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol has a molecular weight of 290.75 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114920488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).