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

C15H14N2 — CID 58086816

IUPAC3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(Cc2c[nH]c3ncccc23)c1
InChIInChI=1S/C15H14N2/c1-11-4-2-5-12(8-11)9-13-10-17-15-14(13)6-3-7-16-15/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPNLYDAOYIOMWTR-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds2

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

3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086816) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086816
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cccc(Cc2c[nH]c3ncccc23)c1
InChIInChI=1S/C15H14N2/c1-11-4-2-5-12(8-11)9-13-10-17-15-14(13)6-3-7-16-15/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPNLYDAOYIOMWTR-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
5-chloro-3-[[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58258945
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086764
3-[[6-[2-(2-fluoro-6-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442097
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
CID 58065947
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 25151533
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086816) is 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cccc(Cc2c[nH]c3ncccc23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PNLYDAOYIOMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-4-2-5-12(8-11)9-13-10-17-15-14(13)6-3-7-16-15/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).