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

C16H14N2 — CID 58086113

IUPAC3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccc(-c2c(C)[nH]c3ncccc23)cc1
InChIInChI=1S/C16H14N2/c1-3-12-6-8-13(9-7-12)15-11(2)18-16-14(15)5-4-10-17-16/h3-10H,1H2,2H3,(H,17,18)
InChIKeyOXOXTDUQHPFQRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.18
Rot. Bonds2

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

3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086113) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086113
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1ccc(-c2c(C)[nH]c3ncccc23)cc1
InChIInChI=1S/C16H14N2/c1-3-12-6-8-13(9-7-12)15-11(2)18-16-14(15)5-4-10-17-16/h3-10H,1H2,2H3,(H,17,18)
InChIKeyOXOXTDUQHPFQRY-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-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 58087002
2,3-dimethyl-1H-1,8-naphthyridine-4-thione
CID 142013352
2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 167028664
trimethyl-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)silane
CID 86188876
1-[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 71577885
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
3-(4-ethenyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 143384633
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
CID 58087269
2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 70347094
1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,23-dihydroporphyrin
CID 135467968

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58086113) is 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine is C=Cc1ccc(-c2c(C)[nH]c3ncccc23)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OXOXTDUQHPFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-12-6-8-13(9-7-12)15-11(2)18-16-14(15)5-4-10-17-16/h3-10H,1H2,2H3,(H,17,18).
What are the key properties of 3-(4-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine?
3-(4-ethenylphenyl)-2-methyl-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-ethenylphenyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).