2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine

C14H14F3N — CID 154519181

IUPAC2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine
SMILESC=C1CC2=C(C=CC(C)(C(F)(F)F)C=C2)N=C1C
InChIInChI=1S/C14H14F3N/c1-9-8-11-4-6-13(3,14(15,16)17)7-5-12(11)18-10(9)2/h4-7H,1,8H2,2-3H3
InChIKeyRTHCDECPGTVLKC-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.36
Rot. Bonds

About 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine

2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine (PubChem CID 154519181) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine
PubChem CID154519181
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine
SMILESC=C1CC2=C(C=CC(C)(C(F)(F)F)C=C2)N=C1C
InChIInChI=1S/C14H14F3N/c1-9-8-11-4-6-13(3,14(15,16)17)7-5-12(11)18-10(9)2/h4-7H,1,8H2,2-3H3
InChIKeyRTHCDECPGTVLKC-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine?
The IUPAC name of 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine (CID 154519181) is 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine.
What is the SMILES notation for 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine?
The canonical SMILES for 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine is C=C1CC2=C(C=CC(C)(C(F)(F)F)C=C2)N=C1C.
What is the InChIKey of 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine?
The InChIKey is RTHCDECPGTVLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-9-8-11-4-6-13(3,14(15,16)17)7-5-12(11)18-10(9)2/h4-7H,1,8H2,2-3H3.
What are the key properties of 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine?
2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine has a molecular weight of 253.27 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-methylidene-7-(trifluoromethyl)-4H-cyclohepta[b]pyridine is sourced from PubChem (CID 154519181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).