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

C16H16N2 — CID 121452821

IUPAC1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
SMILESCc1cccc(Cc2cc3ncccc3n2C)c1
InChIInChI=1S/C16H16N2/c1-12-5-3-6-13(9-12)10-14-11-15-16(18(14)2)7-4-8-17-15/h3-9,11H,10H2,1-2H3
InChIKeyGQCMLTHWIQXHOH-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.47
Rot. Bonds2

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

1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine (PubChem CID 121452821) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
PubChem CID121452821
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
SMILESCc1cccc(Cc2cc3ncccc3n2C)c1
InChIInChI=1S/C16H16N2/c1-12-5-3-6-13(9-12)10-14-11-15-16(18(14)2)7-4-8-17-15/h3-9,11H,10H2,1-2H3
InChIKeyGQCMLTHWIQXHOH-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine (CID 121452821) is 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine is Cc1cccc(Cc2cc3ncccc3n2C)c1.
What is the InChIKey of 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The InChIKey is GQCMLTHWIQXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-5-3-6-13(9-12)10-14-11-15-16(18(14)2)7-4-8-17-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine has a molecular weight of 236.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylphenyl)methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 121452821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).