3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine

C12H12F3N3 — CID 162589954

IUPAC3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine
SMILESCC1=C(c2ccnc(C(F)(F)F)c2)N=CC1(C)N
InChIInChI=1S/C12H12F3N3/c1-7-10(18-6-11(7,2)16)8-3-4-17-9(5-8)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyRERRRBZOWDYNRC-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.63
Rot. Bonds1

About 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine

3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine (PubChem CID 162589954) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine.

Molecular Properties

Compound Name3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine
PubChem CID162589954
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine
SMILESCC1=C(c2ccnc(C(F)(F)F)c2)N=CC1(C)N
InChIInChI=1S/C12H12F3N3/c1-7-10(18-6-11(7,2)16)8-3-4-17-9(5-8)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyRERRRBZOWDYNRC-UHFFFAOYSA-N
XLogP2.63
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine?
The IUPAC name of 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine (CID 162589954) is 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine.
What is the SMILES notation for 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine?
The canonical SMILES for 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine is CC1=C(c2ccnc(C(F)(F)F)c2)N=CC1(C)N.
What is the InChIKey of 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine?
The InChIKey is RERRRBZOWDYNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-10(18-6-11(7,2)16)8-3-4-17-9(5-8)12(13,14)15/h3-6H,16H2,1-2H3.
What are the key properties of 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine?
3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine has a molecular weight of 255.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]pyrrol-3-amine is sourced from PubChem (CID 162589954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).