(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine

C10H12F3N3 — CID 146359472

IUPAC(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
SMILESCCC1=NC2=CC(C(F)(F)F)=NC[C@H]2N1C
InChIInChI=1S/C10H12F3N3/c1-3-9-15-6-4-8(10(11,12)13)14-5-7(6)16(9)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeySBKWPPYWQHAIGW-SSDOTTSWSA-N
MW231.22 g/mol
LogP2.01
Rot. Bonds1

About (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine

(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine (PubChem CID 146359472) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
PubChem CID146359472
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
SMILESCCC1=NC2=CC(C(F)(F)F)=NC[C@H]2N1C
InChIInChI=1S/C10H12F3N3/c1-3-9-15-6-4-8(10(11,12)13)14-5-7(6)16(9)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKeySBKWPPYWQHAIGW-SSDOTTSWSA-N
XLogP2.01
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine (CID 146359472) is (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine is CCC1=NC2=CC(C(F)(F)F)=NC[C@H]2N1C.
What is the InChIKey of (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The InChIKey is SBKWPPYWQHAIGW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-3-9-15-6-4-8(10(11,12)13)14-5-7(6)16(9)2/h4,7H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
(3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine has a molecular weight of 231.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2-ethyl-3-methyl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 146359472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).