(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite

C8H5Cl2FN2S — CID 145024318

IUPAC(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
SMILESCc1cc2c(cc(Cl)n2SF)nc1Cl
InChIInChI=1S/C8H5Cl2FN2S/c1-4-2-6-5(12-8(4)10)3-7(9)13(6)14-11/h2-3H,1H3
InChIKeyNCXODEANMJJSSW-UHFFFAOYSA-N
MW251.11 g/mol
LogP4.03
Rot. Bonds1

About (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite

(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite (PubChem CID 145024318) has the molecular formula C8H5Cl2FN2S and a molecular weight of 251.11 g/mol. Its IUPAC name is (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
PubChem CID145024318
Molecular FormulaC8H5Cl2FN2S
Molecular Weight251.11 g/mol
Exact Mass249.95
IUPAC Name(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
SMILESCc1cc2c(cc(Cl)n2SF)nc1Cl
InChIInChI=1S/C8H5Cl2FN2S/c1-4-2-6-5(12-8(4)10)3-7(9)13(6)14-11/h2-3H,1H3
InChIKeyNCXODEANMJJSSW-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,5,6,7-tetramethylquinoline
CID 146013311
2-chloro-3-methylquinoline-6-sulfinic acid
CID 165454968
1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline
CID 71741638
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
(2-methylbenzimidazol-1-yl) thiohypofluorite
CID 142077046
2,7-dichloro-3-methylquinoline-6-carbonyl chloride
CID 156830699
5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine
CID 142608508
6-bromo-2-chloro-5-fluoro-3-methylquinoline
CID 177015936
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
3-(bromomethyl)-2,6-dichloro-5-methylpyridine
CID 11219023
6-chloro-3,5-dimethylpyridin-2-amine
CID 90874418

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The IUPAC name of (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite (CID 145024318) is (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite.
What is the SMILES notation for (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The canonical SMILES for (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite is Cc1cc2c(cc(Cl)n2SF)nc1Cl.
What is the InChIKey of (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The InChIKey is NCXODEANMJJSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN2S/c1-4-2-6-5(12-8(4)10)3-7(9)13(6)14-11/h2-3H,1H3.
What are the key properties of (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite has a molecular weight of 251.11 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite is sourced from PubChem (CID 145024318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).