[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite

C10H8F4N2OS — CID 172580964

IUPAC[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite
SMILESCOc1ncc(C(F)(F)F)c2c(C)cn(SF)c12
InChIInChI=1S/C10H8F4N2OS/c1-5-4-16(18-14)8-7(5)6(10(11,12)13)3-15-9(8)17-2/h3-4H,1-2H3
InChIKeyNBJOAKAQHDPWFG-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.75
Rot. Bonds2

About [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite

[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite (PubChem CID 172580964) has the molecular formula C10H8F4N2OS and a molecular weight of 280.25 g/mol. Its IUPAC name is [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite
PubChem CID172580964
Molecular FormulaC10H8F4N2OS
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Name[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite
SMILESCOc1ncc(C(F)(F)F)c2c(C)cn(SF)c12
InChIInChI=1S/C10H8F4N2OS/c1-5-4-16(18-14)8-7(5)6(10(11,12)13)3-15-9(8)17-2/h3-4H,1-2H3
InChIKeyNBJOAKAQHDPWFG-UHFFFAOYSA-N
XLogP3.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-methoxy-3-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
CID 170736977
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
CID 172608476
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
2-methoxy-5-propyl-3-(trifluoromethyl)pyridine
CID 168920568
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
CID 168893738
5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
2-methoxy-6-methyl-3-(trifluoromethyl)pyridine
CID 70661653
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite (CID 172580964) is [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite is COc1ncc(C(F)(F)F)c2c(C)cn(SF)c12.
What is the InChIKey of [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite?
The InChIKey is NBJOAKAQHDPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2OS/c1-5-4-16(18-14)8-7(5)6(10(11,12)13)3-15-9(8)17-2/h3-4H,1-2H3.
What are the key properties of [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite?
[7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite has a molecular weight of 280.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-3-methyl-4-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 172580964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).