tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate

C16H16N2O2S — CID 135061190

IUPACtert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2cccs2)cc2ccncc21
InChIInChI=1S/C16H16N2O2S/c1-16(2,3)20-15(19)18-12(14-5-4-8-21-14)9-11-6-7-17-10-13(11)18/h4-10H,1-3H3
InChIKeyBNTAJMYYGDTLER-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.55
Rot. Bonds1

About tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 135061190) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID135061190
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Nametert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2cccs2)cc2ccncc21
InChIInChI=1S/C16H16N2O2S/c1-16(2,3)20-15(19)18-12(14-5-4-8-21-14)9-11-6-7-17-10-13(11)18/h4-10H,1-3H3
InChIKeyBNTAJMYYGDTLER-UHFFFAOYSA-N
XLogP4.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 69193959
tert-butyl 3-prop-1-en-2-yl-5-thiophen-2-yl-2-trimethylsilylpyrrole-1-carboxylate
CID 102328142
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
CID 15851801
tert-butyl 2-[6-fluoro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate
CID 160640988
tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)indole-1-carboxylate
CID 122200469
tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate
CID 68729730
tert-butyl 6-chloro-2-(5-hydroxy-3-pyridinyl)indole-1-carboxylate
CID 58215545
tert-butyl 6-methyl-2-phenylindole-1-carboxylate
CID 118481717
4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid
CID 165062820
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate (CID 135061190) is tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2cccs2)cc2ccncc21.
What is the InChIKey of tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is BNTAJMYYGDTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(2,3)20-15(19)18-12(14-5-4-8-21-14)9-11-6-7-17-10-13(11)18/h4-10H,1-3H3.
What are the key properties of tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 135061190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).