5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol

C16H15NO2 — CID 23131147

IUPAC5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol
SMILESOC1(C2CC2)Cc2ccccc2Oc2ncccc21
InChIInChI=1S/C16H15NO2/c18-16(12-7-8-12)10-11-4-1-2-6-14(11)19-15-13(16)5-3-9-17-15/h1-6,9,12,18H,7-8,10H2
InChIKeyCJDCZMNLXBGAPH-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.03
Rot. Bonds1

About 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol

5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol (PubChem CID 23131147) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol.

Molecular Properties

Compound Name5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol
PubChem CID23131147
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol
SMILESOC1(C2CC2)Cc2ccccc2Oc2ncccc21
InChIInChI=1S/C16H15NO2/c18-16(12-7-8-12)10-11-4-1-2-6-14(11)19-15-13(16)5-3-9-17-15/h1-6,9,12,18H,7-8,10H2
InChIKeyCJDCZMNLXBGAPH-UHFFFAOYSA-N
XLogP3.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol?
The IUPAC name of 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol (CID 23131147) is 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol.
What is the SMILES notation for 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol?
The canonical SMILES for 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol is OC1(C2CC2)Cc2ccccc2Oc2ncccc21.
What is the InChIKey of 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol?
The InChIKey is CJDCZMNLXBGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(12-7-8-12)10-11-4-1-2-6-14(11)19-15-13(16)5-3-9-17-15/h1-6,9,12,18H,7-8,10H2.
What are the key properties of 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol?
5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol has a molecular weight of 253.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6H-[1]benzoxepino[2,3-b]pyridin-5-ol is sourced from PubChem (CID 23131147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).