4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C14H9N3O — CID 24772735

IUPAC4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3cccc(O)c3)c12
InChIInChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
InChIKeyNSJGIUMXLVXGPU-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.81
Rot. Bonds1

About 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 24772735) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID24772735
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3cccc(O)c3)c12
InChIInChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
InChIKeyNSJGIUMXLVXGPU-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
3-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381237
2-amino-4-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 129320519
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
Phenol, 3-[4-amino-7-(1-methylethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-
CID 11230964
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 11953235
3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenol
CID 18792927
4-{8,12,14-Triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
CID 25128951
3-(4-amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381269
3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenol
CID 44600651

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 24772735) is 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nccc(-c3cccc(O)c3)c12.
What is the InChIKey of 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is NSJGIUMXLVXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17).
What are the key properties of 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 24772735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).