[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate

C15H10F3N3O2S — CID 68886580

IUPAC[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1[nH]c2cnccc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-2-4-11(9)24-12-8-5-6-20-7-10(8)21-13(12)23-14(19)22/h1-7,21H,(H2,19,22)
InChIKeyHPVWUQIOPMXYMC-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.19
Rot. Bonds3

About [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate

[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate (PubChem CID 68886580) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate
PubChem CID68886580
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1[nH]c2cnccc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-2-4-11(9)24-12-8-5-6-20-7-10(8)21-13(12)23-14(19)22/h1-7,21H,(H2,19,22)
InChIKeyHPVWUQIOPMXYMC-UHFFFAOYSA-N
XLogP4.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate?
The IUPAC name of [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate (CID 68886580) is [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate?
The canonical SMILES for [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate is NC(=O)Oc1[nH]c2cnccc2c1Sc1ccccc1C(F)(F)F.
What is the InChIKey of [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate?
The InChIKey is HPVWUQIOPMXYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)9-3-1-2-4-11(9)24-12-8-5-6-20-7-10(8)21-13(12)23-14(19)22/h1-7,21H,(H2,19,22).
What are the key properties of [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate?
[3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate has a molecular weight of 353.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[2,3-c]pyridin-2-yl] carbamate is sourced from PubChem (CID 68886580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).