3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol

C14H12N2O — CID 137300612

IUPAC3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESOc1[nH]c2cccnc2c1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-11(9-10-5-2-1-3-6-10)13-12(16-14)7-4-8-15-13/h1-8,16-17H,9H2
InChIKeyMQIYQMPHHQHHDX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

About 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol

3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol (PubChem CID 137300612) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol
PubChem CID137300612
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol
SMILESOc1[nH]c2cccnc2c1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-11(9-10-5-2-1-3-6-10)13-12(16-14)7-4-8-15-13/h1-8,16-17H,9H2
InChIKeyMQIYQMPHHQHHDX-UHFFFAOYSA-N
XLogP2.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 272989
3-(anilinomethylidene)-1H-indol-2-one
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CID 44419702
3-[2-(4-Methyl-piperazin-1-yl)-ethyl]-1H-indol-4-ol
CID 21786603
4-[5-(1H-indol-2-yl)-3-pyridinyl]phenol
CID 44585327
3-(Z)-{1-[4-(piperidin-1-yl-methyl)-anilino]-1-phenyl-methylidene}-6-(pyrrol-1-yl)-2-indolinone
CID 135929170
3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135932346
3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985512
5-methyl-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988906
3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988914
3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135988932
3-[(E)-[3-[(E)-2-pyridin-2-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988957

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol?
The IUPAC name of 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol (CID 137300612) is 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol.
What is the SMILES notation for 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol?
The canonical SMILES for 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol is Oc1[nH]c2cccnc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol?
The InChIKey is MQIYQMPHHQHHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-11(9-10-5-2-1-3-6-10)13-12(16-14)7-4-8-15-13/h1-8,16-17H,9H2.
What are the key properties of 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol?
3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol has a molecular weight of 224.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-pyrrolo[3,2-b]pyridin-2-ol is sourced from PubChem (CID 137300612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).