(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C15H13F2NO — CID 134966349

IUPAC(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(-c2c(F)cccc2F)nc2c1CC[C@@H]2O
InChIInChI=1S/C15H13F2NO/c1-8-7-12(14-10(16)3-2-4-11(14)17)18-15-9(8)5-6-13(15)19/h2-4,7,13,19H,5-6H2,1H3/t13-/m0/s1
InChIKeyRERSEVJIIFYPRB-ZDUSSCGKSA-N
MW261.27 g/mol
LogP3.31
Rot. Bonds1

About (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 134966349) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID134966349
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(-c2c(F)cccc2F)nc2c1CC[C@@H]2O
InChIInChI=1S/C15H13F2NO/c1-8-7-12(14-10(16)3-2-4-11(14)17)18-15-9(8)5-6-13(15)19/h2-4,7,13,19H,5-6H2,1H3/t13-/m0/s1
InChIKeyRERSEVJIIFYPRB-ZDUSSCGKSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 134966349) is (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cc1cc(-c2c(F)cccc2F)nc2c1CC[C@@H]2O.
What is the InChIKey of (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is RERSEVJIIFYPRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-8-7-12(14-10(16)3-2-4-11(14)17)18-15-9(8)5-6-13(15)19/h2-4,7,13,19H,5-6H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
(7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 261.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(2,6-difluorophenyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 134966349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).