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

C9H9F3N2 — CID 163621743

IUPAC3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2c1=CC(C(F)(F)F)CN=2
InChIInChI=1S/C9H9F3N2/c1-5-3-13-8-7(5)2-6(4-14-8)9(10,11)12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyHORNXYHADPRINO-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.92
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163621743) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID163621743
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2c1=CC(C(F)(F)F)CN=2
InChIInChI=1S/C9H9F3N2/c1-5-3-13-8-7(5)2-6(4-14-8)9(10,11)12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyHORNXYHADPRINO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,4-dihydropyrimidin-6-amine
CID 68101768
4-fluoro-3,5-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124026877
4-methyl-6-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 146493748
3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-1-ium
CID 163621742
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308840
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
4-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124190153
4,5-Dimethyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 136204785
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 142308839
5-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143384775
(3Z)-N,4-dimethyl-3-propylidene-1H-pyrrol-2-imine;ethane
CID 144116944
(3Z)-N,4-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 144116945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 163621743) is 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2c1=CC(C(F)(F)F)CN=2.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HORNXYHADPRINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-3-13-8-7(5)2-6(4-14-8)9(10,11)12/h2-3,6H,4H2,1H3,(H,13,14).
What are the key properties of 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163621743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).