[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate

C14H10FN3O2S — CID 68886342

IUPAC[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S/c15-8-3-1-4-9(7-8)21-12-11-10(5-2-6-17-11)18-13(12)20-14(16)19/h1-7,18H,(H2,16,19)
InChIKeyXYJPTERJPZROAW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.31
Rot. Bonds3

About [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate

[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate (PubChem CID 68886342) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate
PubChem CID68886342
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1
InChIInChI=1S/C14H10FN3O2S/c15-8-3-1-4-9(7-8)21-12-11-10(5-2-6-17-11)18-13(12)20-14(16)19/h1-7,18H,(H2,16,19)
InChIKeyXYJPTERJPZROAW-UHFFFAOYSA-N
XLogP3.31
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate (CID 68886342) is [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate is NC(=O)Oc1[nH]c2cccnc2c1Sc1cccc(F)c1.
What is the InChIKey of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate?
The InChIKey is XYJPTERJPZROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-8-3-1-4-9(7-8)21-12-11-10(5-2-6-17-11)18-13(12)20-14(16)19/h1-7,18H,(H2,16,19).
What are the key properties of [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate?
[3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate has a molecular weight of 303.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 68886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).