ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine

C10H16FNO2 — CID 163252234

IUPACethane;5-fluoro-2,4-dimethoxy-3-methylpyridine
SMILESCC.COc1ncc(F)c(OC)c1C
InChIInChI=1S/C8H10FNO2.C2H6/c1-5-7(11-2)6(9)4-10-8(5)12-3;1-2/h4H,1-3H3;1-2H3
InChIKeySSUBHQCDXFNRSU-UHFFFAOYSA-N
MW201.24 g/mol
LogP2.57
Rot. Bonds2

About ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine

ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine (PubChem CID 163252234) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine.

Molecular Properties

Compound Nameethane;5-fluoro-2,4-dimethoxy-3-methylpyridine
PubChem CID163252234
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Nameethane;5-fluoro-2,4-dimethoxy-3-methylpyridine
SMILESCC.COc1ncc(F)c(OC)c1C
InChIInChI=1S/C8H10FNO2.C2H6/c1-5-7(11-2)6(9)4-10-8(5)12-3;1-2/h4H,1-3H3;1-2H3
InChIKeySSUBHQCDXFNRSU-UHFFFAOYSA-N
XLogP2.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252235
4-fluoro-6-methoxy-5-methylpyridin-3-amine
CID 172993259
5-chloro-3-fluoro-2-methoxy-4-methylpyridine
CID 164894688
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
5-fluoro-2,3-dimethoxypyrazine
CID 169098366
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
CID 163233411
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 166534222
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine?
The IUPAC name of ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine (CID 163252234) is ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine.
What is the SMILES notation for ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine?
The canonical SMILES for ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine is CC.COc1ncc(F)c(OC)c1C.
What is the InChIKey of ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine?
The InChIKey is SSUBHQCDXFNRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2.C2H6/c1-5-7(11-2)6(9)4-10-8(5)12-3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine?
ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine has a molecular weight of 201.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine is sourced from PubChem (CID 163252234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).