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

C16H14N2 — CID 143384633

IUPAC3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccc(-c2c[nH]c3ncccc23)cc1C
InChIInChI=1S/C16H14N2/c1-3-12-6-7-13(9-11(12)2)15-10-18-16-14(15)5-4-8-17-16/h3-10H,1H2,2H3,(H,17,18)
InChIKeyRCRNYYBMOYCKCC-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.18
Rot. Bonds2

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

3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143384633) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143384633
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccc(-c2c[nH]c3ncccc23)cc1C
InChIInChI=1S/C16H14N2/c1-3-12-6-7-13(9-11(12)2)15-10-18-16-14(15)5-4-8-17-16/h3-10H,1H2,2H3,(H,17,18)
InChIKeyRCRNYYBMOYCKCC-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
6-(2,3-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53494820
1-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604572
5-[4-(3-methyl-2-pyridinyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine
CID 175985054
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138674165
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 139197585
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 143384633) is 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is C=Cc1ccc(-c2c[nH]c3ncccc23)cc1C.
What is the InChIKey of 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RCRNYYBMOYCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-12-6-7-13(9-11(12)2)15-10-18-16-14(15)5-4-8-17-16/h3-10H,1H2,2H3,(H,17,18).
What are the key properties of 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 234.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).