1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine

C13H12F6N2 — CID 18940152

IUPAC1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESC=C1N(C)c2nc(C(F)(F)F)cc(C(F)(F)F)c2C1(C)C
InChIInChI=1S/C13H12F6N2/c1-6-11(2,3)9-7(12(14,15)16)5-8(13(17,18)19)20-10(9)21(6)4/h5H,1H2,2-4H3
InChIKeyMCKMFLVLGNOEOI-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.36
Rot. Bonds

About 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine

1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 18940152) has the molecular formula C13H12F6N2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID18940152
Molecular FormulaC13H12F6N2
Molecular Weight310.24 g/mol
Exact Mass310.09
IUPAC Name1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESC=C1N(C)c2nc(C(F)(F)F)cc(C(F)(F)F)c2C1(C)C
InChIInChI=1S/C13H12F6N2/c1-6-11(2,3)9-7(12(14,15)16)5-8(13(17,18)19)20-10(9)21(6)4/h5H,1H2,2-4H3
InChIKeyMCKMFLVLGNOEOI-UHFFFAOYSA-N
XLogP4.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 18940152) is 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine is C=C1N(C)c2nc(C(F)(F)F)cc(C(F)(F)F)c2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is MCKMFLVLGNOEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N2/c1-6-11(2,3)9-7(12(14,15)16)5-8(13(17,18)19)20-10(9)21(6)4/h5H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 310.24 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylidene-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 18940152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).