6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine

C16H13F2NO — CID 157141618

IUPAC6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
SMILESC#CC1=CC=C(c2cc(F)c(OC)c(F)c2)N(C)C1=C
InChIInChI=1S/C16H13F2NO/c1-5-11-6-7-15(19(3)10(11)2)12-8-13(17)16(20-4)14(18)9-12/h1,6-9H,2H2,3-4H3
InChIKeyHWEPFVIIVJPWPC-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.33
Rot. Bonds2

About 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine

6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine (PubChem CID 157141618) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
PubChem CID157141618
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine
SMILESC#CC1=CC=C(c2cc(F)c(OC)c(F)c2)N(C)C1=C
InChIInChI=1S/C16H13F2NO/c1-5-11-6-7-15(19(3)10(11)2)12-8-13(17)16(20-4)14(18)9-12/h1,6-9H,2H2,3-4H3
InChIKeyHWEPFVIIVJPWPC-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 164892027
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CID 50998081
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
2-(bromomethyl)-5-(3,5-difluoro-4-methoxyphenyl)-1,3-difluorobenzene
CID 12994966
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
CID 21097811
CID 21097811
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(3,5-difluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-ol
CID 54059854

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine?
The IUPAC name of 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine (CID 157141618) is 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine?
The canonical SMILES for 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine is C#CC1=CC=C(c2cc(F)c(OC)c(F)c2)N(C)C1=C.
What is the InChIKey of 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine?
The InChIKey is HWEPFVIIVJPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-5-11-6-7-15(19(3)10(11)2)12-8-13(17)16(20-4)14(18)9-12/h1,6-9H,2H2,3-4H3.
What are the key properties of 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine?
6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine has a molecular weight of 273.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoro-4-methoxyphenyl)-3-ethynyl-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 157141618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).