7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine

C12H12FNS — CID 164872768

IUPAC7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
SMILESCN1CCc2c(sc3cc(F)ccc23)C1
InChIInChI=1S/C12H12FNS/c1-14-5-4-10-9-3-2-8(13)6-11(9)15-12(10)7-14/h2-3,6H,4-5,7H2,1H3
InChIKeyWFBXDZDARNYSFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.03
Rot. Bonds

About 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine

7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine (PubChem CID 164872768) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
PubChem CID164872768
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
SMILESCN1CCc2c(sc3cc(F)ccc23)C1
InChIInChI=1S/C12H12FNS/c1-14-5-4-10-9-3-2-8(13)6-11(9)15-12(10)7-14/h2-3,6H,4-5,7H2,1H3
InChIKeyWFBXDZDARNYSFQ-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine (CID 164872768) is 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine is CN1CCc2c(sc3cc(F)ccc23)C1.
What is the InChIKey of 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is WFBXDZDARNYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-14-5-4-10-9-3-2-8(13)6-11(9)15-12(10)7-14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine?
7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 164872768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).