(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol

C16H16BrNO — CID 81447185

IUPAC(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
SMILESCc1cc(C(O)C2CCc3cccnc32)ccc1Br
InChIInChI=1S/C16H16BrNO/c1-10-9-12(5-7-14(10)17)16(19)13-6-4-11-3-2-8-18-15(11)13/h2-3,5,7-9,13,16,19H,4,6H2,1H3
InChIKeyLLZZEKPLJRHDOA-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.92
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol

(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol (PubChem CID 81447185) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
PubChem CID81447185
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
SMILESCc1cc(C(O)C2CCc3cccnc32)ccc1Br
InChIInChI=1S/C16H16BrNO/c1-10-9-12(5-7-14(10)17)16(19)13-6-4-11-3-2-8-18-15(11)13/h2-3,5,7-9,13,16,19H,4,6H2,1H3
InChIKeyLLZZEKPLJRHDOA-UHFFFAOYSA-N
XLogP3.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
CID 115819532
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79740006
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylfuran-2-yl)methanol
CID 79740317
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79745438
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009692

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The IUPAC name of (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol (CID 81447185) is (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The canonical SMILES for (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol is Cc1cc(C(O)C2CCc3cccnc32)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
The InChIKey is LLZZEKPLJRHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-9-12(5-7-14(10)17)16(19)13-6-4-11-3-2-8-18-15(11)13/h2-3,5,7-9,13,16,19H,4,6H2,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol?
(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol has a molecular weight of 318.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol is sourced from PubChem (CID 81447185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).