(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol

C15H16N2O — CID 63899931

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
SMILESCN1CCc2cc(C(O)c3cccnc3)ccc21
InChIInChI=1S/C15H16N2O/c1-17-8-6-11-9-12(4-5-14(11)17)15(18)13-3-2-7-16-10-13/h2-5,7,9-10,15,18H,6,8H2,1H3
InChIKeyQOTKJXHPOAFRNU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.16
Rot. Bonds2

About (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol

(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol (PubChem CID 63899931) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
PubChem CID63899931
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
SMILESCN1CCc2cc(C(O)c3cccnc3)ccc21
InChIInChI=1S/C15H16N2O/c1-17-8-6-11-9-12(4-5-14(11)17)15(18)13-3-2-7-16-10-13/h2-5,7,9-10,15,18H,6,8H2,1H3
InChIKeyQOTKJXHPOAFRNU-UHFFFAOYSA-N
XLogP2.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
1-benzofuran-2-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 114723692
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
CID 11957462
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
(S)-(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-pyridin-3-ylmethanol
CID 42277346
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol (CID 63899931) is (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol is CN1CCc2cc(C(O)c3cccnc3)ccc21.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol?
The InChIKey is QOTKJXHPOAFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-8-6-11-9-12(4-5-14(11)17)15(18)13-3-2-7-16-10-13/h2-5,7,9-10,15,18H,6,8H2,1H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol?
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol has a molecular weight of 240.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 63899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).