5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine

C13H10ClN3OS — CID 58086419

IUPAC5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Sc2c[nH]c3ncc(Cl)cc23)nc1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-2-3-12(15-6-9)19-11-7-17-13-10(11)4-8(14)5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyDYYRQMFALNYZNJ-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine

5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086419) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086419
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Sc2c[nH]c3ncc(Cl)cc23)nc1
InChIInChI=1S/C13H10ClN3OS/c1-18-9-2-3-12(15-6-9)19-11-7-17-13-10(11)4-8(14)5-16-13/h2-7H,1H3,(H,16,17)
InChIKeyDYYRQMFALNYZNJ-UHFFFAOYSA-N
XLogP3.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086419) is 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(Sc2c[nH]c3ncc(Cl)cc23)nc1.
What is the InChIKey of 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DYYRQMFALNYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-18-9-2-3-12(15-6-9)19-11-7-17-13-10(11)4-8(14)5-16-13/h2-7H,1H3,(H,16,17).
What are the key properties of 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 291.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(5-methoxy-2-pyridinyl)sulfanyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).