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

C16H16N2O — CID 58087873

IUPAC3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccc(-c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H16N2O/c1-2-10-19-13-7-5-12(6-8-13)15-11-18-16-14(15)4-3-9-17-16/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyAUYDSBOGUIHPDC-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.02
Rot. Bonds4

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

3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58087873) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58087873
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCCOc1ccc(-c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H16N2O/c1-2-10-19-13-7-5-12(6-8-13)15-11-18-16-14(15)4-3-9-17-16/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyAUYDSBOGUIHPDC-UHFFFAOYSA-N
XLogP4.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191761
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
6-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494817
8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224011
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
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CID 66667480

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 58087873) is 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCCOc1ccc(-c2c[nH]c3ncccc23)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AUYDSBOGUIHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-10-19-13-7-5-12(6-8-13)15-11-18-16-14(15)4-3-9-17-16/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).