tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate

C19H20N2O2 — CID 16741570

IUPACtert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCc1ccccc1-c1cc2ccncc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H20N2O2/c1-13-7-5-6-8-15(13)16-11-14-9-10-20-12-17(14)21(16)18(22)23-19(2,3)4/h5-12H,1-4H3
InChIKeyQGUPBOWKGZXSOH-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.79
Rot. Bonds1

About tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 16741570) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID16741570
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nametert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCc1ccccc1-c1cc2ccncc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H20N2O2/c1-13-7-5-6-8-15(13)16-11-14-9-10-20-12-17(14)21(16)18(22)23-19(2,3)4/h5-12H,1-4H3
InChIKeyQGUPBOWKGZXSOH-UHFFFAOYSA-N
XLogP4.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate (CID 16741570) is tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate is Cc1ccccc1-c1cc2ccncc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is QGUPBOWKGZXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-7-5-6-8-15(13)16-11-14-9-10-20-12-17(14)21(16)18(22)23-19(2,3)4/h5-12H,1-4H3.
What are the key properties of tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 16741570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).