5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine

C17H15F2NOS — CID 162243418

IUPAC5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccc(OCC(C)(F)F)cn2)sc2ccccc12
InChIInChI=1S/C17H15F2NOS/c1-11-13-5-3-4-6-15(13)22-16(11)14-8-7-12(9-20-14)21-10-17(2,18)19/h3-9H,10H2,1-2H3
InChIKeyZWZWFTUMFBGUJJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.31
Rot. Bonds4

About 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine

5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine (PubChem CID 162243418) has the molecular formula C17H15F2NOS and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine
PubChem CID162243418
Molecular FormulaC17H15F2NOS
Molecular Weight319.38 g/mol
Exact Mass319.08
IUPAC Name5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccc(OCC(C)(F)F)cn2)sc2ccccc12
InChIInChI=1S/C17H15F2NOS/c1-11-13-5-3-4-6-15(13)22-16(11)14-8-7-12(9-20-14)21-10-17(2,18)19/h3-9H,10H2,1-2H3
InChIKeyZWZWFTUMFBGUJJ-UHFFFAOYSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
(NE)-N-(2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene)hydroxylamine
CID 136503356
(NE)-N-(2-thieno[2,3-c]pyridin-5-ylchromen-4-ylidene)hydroxylamine
CID 136503386
6-fluoro-2-[(5-methoxy-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137636260
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
N-(3-methyl-1-benzothiophen-2-yl)-4-pyridin-3-yloxy-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 66906902
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]pyridine
CID 44202249
US10941138, Example 94
CID 135178796
4-(3-Methyl-1-benzothiophen-2-yl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 2742363

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine (CID 162243418) is 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine is Cc1c(-c2ccc(OCC(C)(F)F)cn2)sc2ccccc12.
What is the InChIKey of 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The InChIKey is ZWZWFTUMFBGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NOS/c1-11-13-5-3-4-6-15(13)22-16(11)14-8-7-12(9-20-14)21-10-17(2,18)19/h3-9H,10H2,1-2H3.
What are the key properties of 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine?
5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine has a molecular weight of 319.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropoxy)-2-(3-methyl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 162243418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).