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

C16H17NO3S — CID 115819532

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)C2CCc3cccnc32)c1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)13-6-2-4-12(10-13)16(18)14-8-7-11-5-3-9-17-15(11)14/h2-6,9-10,14,16,18H,7-8H2,1H3
InChIKeyQAMXNGOEFJJTNQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.25
Rot. Bonds3

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol (PubChem CID 115819532) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
PubChem CID115819532
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)C2CCc3cccnc32)c1
InChIInChI=1S/C16H17NO3S/c1-21(19,20)13-6-2-4-12(10-13)16(18)14-8-7-11-5-3-9-17-15(11)14/h2-6,9-10,14,16,18H,7-8H2,1H3
InChIKeyQAMXNGOEFJJTNQ-UHFFFAOYSA-N
XLogP2.25
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 81447185
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
CID 115819406
2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79745438
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
(3,5-dichloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79781088
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115819504
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol (CID 115819532) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(C(O)C2CCc3cccnc32)c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol?
The InChIKey is QAMXNGOEFJJTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-21(19,20)13-6-2-4-12(10-13)16(18)14-8-7-11-5-3-9-17-15(11)14/h2-6,9-10,14,16,18H,7-8H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol has a molecular weight of 303.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 115819532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).