2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane

C18H23F2NO — CID 145210804

IUPAC2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane
SMILESCC(C)C(C)C.COc1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO.C6H14/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-5(2)6(3)4/h2-7H,1H3;5-6H,1-4H3
InChIKeyHABDJIBYISZTPC-UHFFFAOYSA-N
MW307.38 g/mol
LogP5.33
Rot. Bonds3

About 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane

2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane (PubChem CID 145210804) has the molecular formula C18H23F2NO and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane
PubChem CID145210804
Molecular FormulaC18H23F2NO
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane
SMILESCC(C)C(C)C.COc1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2NO.C6H14/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-5(2)6(3)4/h2-7H,1H3;5-6H,1-4H3
InChIKeyHABDJIBYISZTPC-UHFFFAOYSA-N
XLogP5.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
(3R)-2,3-dimethylpentane;2-(4-fluorophenyl)-4-methoxypyridine
CID 145210780
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
CID 15022677
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
2-(2,4-difluorophenyl)-4-methoxypyrimidine
CID 141051307
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine);iridium(3+);4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;hexafluorophosphate
CID 165430902
2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-iodo-N,N-dimethylpyridin-4-amine
CID 159317842
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane?
The IUPAC name of 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane (CID 145210804) is 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane is CC(C)C(C)C.COc1ccnc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane?
The InChIKey is HABDJIBYISZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO.C6H14/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-5(2)6(3)4/h2-7H,1H3;5-6H,1-4H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane?
2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane has a molecular weight of 307.38 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-methoxypyridine;2,3-dimethylbutane is sourced from PubChem (CID 145210804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).