4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol

C19H14N2O — CID 147129959

IUPAC4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1
InChIInChI=1S/C19H14N2O/c22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h1-10,12,22H,11H2
InChIKeyBQACESDGMFOSBL-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.05
Rot. Bonds2

About 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol

4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol (PubChem CID 147129959) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol
PubChem CID147129959
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1
InChIInChI=1S/C19H14N2O/c22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h1-10,12,22H,11H2
InChIKeyBQACESDGMFOSBL-UHFFFAOYSA-N
XLogP4.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-isoindole
CID 146848486
3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
CID 147128888
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
CID 160801949
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 175213647
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol?
The IUPAC name of 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol (CID 147129959) is 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol is Oc1ccc(-c2ncccc2-c2ccc3c(c2)C=NC3)cc1.
What is the InChIKey of 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol?
The InChIKey is BQACESDGMFOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-17-7-5-13(6-8-17)19-18(2-1-9-21-19)14-3-4-15-11-20-12-16(15)10-14/h1-10,12,22H,11H2.
What are the key properties of 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol?
4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol has a molecular weight of 286.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-isoindol-5-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 147129959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).