3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

C20H16N2O — CID 59699823

IUPAC3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C20H16N2O/c1-13-5-2-3-8-17(13)19-12-22-20-18(19)10-15(11-21-20)14-6-4-7-16(23)9-14/h2-12,23H,1H3,(H,21,22)
InChIKeyQZNMBTAISFUPAA-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds2

About 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 59699823) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID59699823
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESCc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12
InChIInChI=1S/C20H16N2O/c1-13-5-2-3-8-17(13)19-12-22-20-18(19)10-15(11-21-20)14-6-4-7-16(23)9-14/h2-12,23H,1H3,(H,21,22)
InChIKeyQZNMBTAISFUPAA-UHFFFAOYSA-N
XLogP4.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 59699823) is 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Cc1ccccc1-c1c[nH]c2ncc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is QZNMBTAISFUPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-5-2-3-8-17(13)19-12-22-20-18(19)10-15(11-21-20)14-6-4-7-16(23)9-14/h2-12,23H,1H3,(H,21,22).
What are the key properties of 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 300.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 59699823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).