[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

C13H10ClF2N5OS — CID 171606953

IUPAC[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccc(F)c(-n2cc(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C13H10ClF2N5OS/c1-23(2,22)20-10-4-3-8(15)12(18-10)21-6-9(16)7-5-17-13(14)19-11(7)21/h3-6H,1-2H3
InChIKeyIQLZWPZTWOISEE-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.11
Rot. Bonds2

About [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 171606953) has the molecular formula C13H10ClF2N5OS and a molecular weight of 357.77 g/mol. Its IUPAC name is [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID171606953
Molecular FormulaC13H10ClF2N5OS
Molecular Weight357.77 g/mol
Exact Mass357.03
IUPAC Name[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccc(F)c(-n2cc(F)c3cnc(Cl)nc32)n1
InChIInChI=1S/C13H10ClF2N5OS/c1-23(2,22)20-10-4-3-8(15)12(18-10)21-6-9(16)7-5-17-13(14)19-11(7)21/h3-6H,1-2H3
InChIKeyIQLZWPZTWOISEE-UHFFFAOYSA-N
XLogP3.11
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (CID 171606953) is [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1ccc(F)c(-n2cc(F)c3cnc(Cl)nc32)n1.
What is the InChIKey of [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is IQLZWPZTWOISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5OS/c1-23(2,22)20-10-4-3-8(15)12(18-10)21-6-9(16)7-5-17-13(14)19-11(7)21/h3-6H,1-2H3.
What are the key properties of [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
[6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 357.77 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-fluoro-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 171606953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).