(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol

C20H16N2O — CID 7150227

IUPAC(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol
SMILESO[C@@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H16N2O/c23-20(15-10-12-21-13-11-15)18-16-8-4-5-9-17(16)22-19(18)14-6-2-1-3-7-14/h1-13,20,22-23H/t20-/m0/s1
InChIKeyJAYZZRNUIXTTLZ-FQEVSTJZSA-N
MW300.36 g/mol
LogP4.31
Rot. Bonds3

About (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol

(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol (PubChem CID 7150227) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol
PubChem CID7150227
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol
SMILESO[C@@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H16N2O/c23-20(15-10-12-21-13-11-15)18-16-8-4-5-9-17(16)22-19(18)14-6-2-1-3-7-14/h1-13,20,22-23H/t20-/m0/s1
InChIKeyJAYZZRNUIXTTLZ-FQEVSTJZSA-N
XLogP4.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol?
The IUPAC name of (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol (CID 7150227) is (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol is O[C@@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol?
The InChIKey is JAYZZRNUIXTTLZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20(15-10-12-21-13-11-15)18-16-8-4-5-9-17(16)22-19(18)14-6-2-1-3-7-14/h1-13,20,22-23H/t20-/m0/s1.
What are the key properties of (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol?
(S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol has a molecular weight of 300.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-phenyl-1H-indol-3-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 7150227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).