1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine

C12H11N3 — CID 175963630

IUPAC1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccc[nH]2)c2ccncc21
InChIInChI=1S/C12H11N3/c1-15-8-10(11-3-2-5-14-11)9-4-6-13-7-12(9)15/h2-8,14H,1H3
InChIKeyPPHQEMGWRIDOAS-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine

1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine (PubChem CID 175963630) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine
PubChem CID175963630
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine
SMILESCn1cc(-c2ccc[nH]2)c2ccncc21
InChIInChI=1S/C12H11N3/c1-15-8-10(11-3-2-5-14-11)9-4-6-13-7-12(9)15/h2-8,14H,1H3
InChIKeyPPHQEMGWRIDOAS-UHFFFAOYSA-N
XLogP2.57
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine (CID 175963630) is 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine is Cn1cc(-c2ccc[nH]2)c2ccncc21.
What is the InChIKey of 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is PPHQEMGWRIDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15-8-10(11-3-2-5-14-11)9-4-6-13-7-12(9)15/h2-8,14H,1H3.
What are the key properties of 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine?
1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 197.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrol-2-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 175963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).