4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H9F3N2 — CID 146493748

IUPAC4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=c2cc[nH]c2=NC(C(F)(F)F)C1
InChIInChI=1S/C9H9F3N2/c1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyMTPGEOUCMFZXRT-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.14
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146493748) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID146493748
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=c2cc[nH]c2=NC(C(F)(F)F)C1
InChIInChI=1S/C9H9F3N2/c1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8/h2-3,7H,4H2,1H3,(H,13,14)
InChIKeyMTPGEOUCMFZXRT-UHFFFAOYSA-N
XLogP1.14
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 146493748) is 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1=c2cc[nH]c2=NC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MTPGEOUCMFZXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8/h2-3,7H,4H2,1H3,(H,13,14).
What are the key properties of 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.18 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146493748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).