tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate

C14H15N3O2 — CID 163854248

IUPACtert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCc1cc2cc(C#N)ncc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C14H15N3O2/c1-9-5-10-6-11(7-15)16-8-12(10)17(9)13(18)19-14(2,3)4/h5-6,8H,1-4H3
InChIKeyOWYSTJZZFQWAQV-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.00
Rot. Bonds

About tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 163854248) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID163854248
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nametert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCc1cc2cc(C#N)ncc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C14H15N3O2/c1-9-5-10-6-11(7-15)16-8-12(10)17(9)13(18)19-14(2,3)4/h5-6,8H,1-4H3
InChIKeyOWYSTJZZFQWAQV-UHFFFAOYSA-N
XLogP3.00
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate (CID 163854248) is tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate is Cc1cc2cc(C#N)ncc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is OWYSTJZZFQWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-5-10-6-11(7-15)16-8-12(10)17(9)13(18)19-14(2,3)4/h5-6,8H,1-4H3.
What are the key properties of tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-cyano-2-methylpyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 163854248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).