3-benzyl-1-methylpyrrolo[2,3-c]pyridine

C15H14N2 — CID 176810031

IUPAC3-benzyl-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1cc(Cc2ccccc2)c2ccncc21
InChIInChI=1S/C15H14N2/c1-17-11-13(9-12-5-3-2-4-6-12)14-7-8-16-10-15(14)17/h2-8,10-11H,9H2,1H3
InChIKeyAYWNGPBTHXQZIF-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.16
Rot. Bonds2

About 3-benzyl-1-methylpyrrolo[2,3-c]pyridine

3-benzyl-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 176810031) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-benzyl-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-benzyl-1-methylpyrrolo[2,3-c]pyridine
PubChem CID176810031
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-benzyl-1-methylpyrrolo[2,3-c]pyridine
SMILESCn1cc(Cc2ccccc2)c2ccncc21
InChIInChI=1S/C15H14N2/c1-17-11-13(9-12-5-3-2-4-6-12)14-7-8-16-10-15(14)17/h2-8,10-11H,9H2,1H3
InChIKeyAYWNGPBTHXQZIF-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolo[2,3-c]pyridine
CID 139449500
3-benzyl-1-methylquinolin-4-one
CID 10988673
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
ethane;1-methylpyrrolo[2,3-c]pyridin-3-amine
CID 142426544
1-methyl-3-(piperidin-3-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692956
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
CID 143836551
1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine
CID 175963630
3-cyclopropyl-1-methylpyrrolo[2,3-c]pyridine;ethane
CID 167522006
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-benzyl-1-methylpyrrolo[2,3-c]pyridine (CID 176810031) is 3-benzyl-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-benzyl-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-benzyl-1-methylpyrrolo[2,3-c]pyridine is Cn1cc(Cc2ccccc2)c2ccncc21.
What is the InChIKey of 3-benzyl-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is AYWNGPBTHXQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17-11-13(9-12-5-3-2-4-6-12)14-7-8-16-10-15(14)17/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-benzyl-1-methylpyrrolo[2,3-c]pyridine?
3-benzyl-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 176810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).