(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol

C15H14N2O — CID 696635

IUPAC(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
SMILESCc1[nH]c2ccccc2c1[C@H](O)c1ccccn1
InChIInChI=1S/C15H14N2O/c1-10-14(11-6-2-3-7-12(11)17-10)15(18)13-8-4-5-9-16-13/h2-9,15,17-18H,1H3/t15-/m1/s1
InChIKeyFHXILHLUEFRUNP-OAHLLOKOSA-N
MW238.29 g/mol
LogP2.95
Rot. Bonds2

About (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol

(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol (PubChem CID 696635) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
PubChem CID696635
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
SMILESCc1[nH]c2ccccc2c1[C@H](O)c1ccccn1
InChIInChI=1S/C15H14N2O/c1-10-14(11-6-2-3-7-12(11)17-10)15(18)13-8-4-5-9-16-13/h2-9,15,17-18H,1H3/t15-/m1/s1
InChIKeyFHXILHLUEFRUNP-OAHLLOKOSA-N
XLogP2.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
CID 4124907
3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
CID 110453783
3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 7106173
3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5056524
2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]-1H-indole
CID 7113557
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5182882
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline
CID 7106162
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
ethyl 1-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidin-1-ium-4-carboxylate
CID 6988624
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol?
The IUPAC name of (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol (CID 696635) is (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol?
The canonical SMILES for (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol is Cc1[nH]c2ccccc2c1[C@H](O)c1ccccn1.
What is the InChIKey of (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol?
The InChIKey is FHXILHLUEFRUNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-14(11-6-2-3-7-12(11)17-10)15(18)13-8-4-5-9-16-13/h2-9,15,17-18H,1H3/t15-/m1/s1.
What are the key properties of (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol?
(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol has a molecular weight of 238.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 696635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).