3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C8H10F3N3 — CID 45096982

IUPAC3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C8H10F3N3/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11/h12H,2-4H2,1H3
InChIKeySORBNBGEZQLKLN-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.08
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 45096982) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID45096982
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C8H10F3N3/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11/h12H,2-4H2,1H3
InChIKeySORBNBGEZQLKLN-UHFFFAOYSA-N
XLogP1.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 45096982) is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(C(F)(F)F)nc2c1CNCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is SORBNBGEZQLKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 45096982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).