(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol

C16H16BrNO2 — CID 79740006

IUPAC(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1CCc2cccnc21
InChIInChI=1S/C16H16BrNO2/c1-20-14-7-5-11(17)9-13(14)16(19)12-6-4-10-3-2-8-18-15(10)12/h2-3,5,7-9,12,16,19H,4,6H2,1H3
InChIKeyYXJUWULEANUPDF-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.62
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol

(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol (PubChem CID 79740006) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
PubChem CID79740006
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1CCc2cccnc21
InChIInChI=1S/C16H16BrNO2/c1-20-14-7-5-11(17)9-13(14)16(19)12-6-4-10-3-2-8-18-15(10)12/h2-3,5,7-9,12,16,19H,4,6H2,1H3
InChIKeyYXJUWULEANUPDF-UHFFFAOYSA-N
XLogP3.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol (CID 79740006) is (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol is COc1ccc(Br)cc1C(O)C1CCc2cccnc21.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The InChIKey is YXJUWULEANUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-14-7-5-11(17)9-13(14)16(19)12-6-4-10-3-2-8-18-15(10)12/h2-3,5,7-9,12,16,19H,4,6H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol has a molecular weight of 334.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol is sourced from PubChem (CID 79740006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).