5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine

C13H10F3NO — CID 155581122

IUPAC5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine
SMILESC=C1C=NC(c2ccc(OC(F)(F)F)cc2)=CC1
InChIInChI=1S/C13H10F3NO/c1-9-2-7-12(17-8-9)10-3-5-11(6-4-10)18-13(14,15)16/h3-8H,1-2H2
InChIKeyOWDPCKXSVYSJQG-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.96
Rot. Bonds2

About 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine

5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine (PubChem CID 155581122) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine.

Molecular Properties

Compound Name5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine
PubChem CID155581122
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine
SMILESC=C1C=NC(c2ccc(OC(F)(F)F)cc2)=CC1
InChIInChI=1S/C13H10F3NO/c1-9-2-7-12(17-8-9)10-3-5-11(6-4-10)18-13(14,15)16/h3-8H,1-2H2
InChIKeyOWDPCKXSVYSJQG-UHFFFAOYSA-N
XLogP3.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 163890994
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CID 23081381
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477199
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 102943740
4,5-bis[4-(trifluoromethoxy)phenyl]pyridazin-3-olate
CID 143625455
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine?
The IUPAC name of 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine (CID 155581122) is 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine.
What is the SMILES notation for 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine?
The canonical SMILES for 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine is C=C1C=NC(c2ccc(OC(F)(F)F)cc2)=CC1.
What is the InChIKey of 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine?
The InChIKey is OWDPCKXSVYSJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-9-2-7-12(17-8-9)10-3-5-11(6-4-10)18-13(14,15)16/h3-8H,1-2H2.
What are the key properties of 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine?
5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine has a molecular weight of 253.22 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-[4-(trifluoromethoxy)phenyl]-4H-pyridine is sourced from PubChem (CID 155581122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).