3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C10H9F3N2 — CID 134232979

IUPAC3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c[nH]c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C10H9F3N2/c1-2-6-4-14-9-8(6)3-7(5-15-9)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyKVPIONGDNPIHOI-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.14
Rot. Bonds1

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

3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134232979) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID134232979
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c[nH]c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C10H9F3N2/c1-2-6-4-14-9-8(6)3-7(5-15-9)10(11,12)13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyKVPIONGDNPIHOI-UHFFFAOYSA-N
XLogP3.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyloxidanium
CID 148946012
6-fluoro-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
CID 142722790
5-(3-dimethylphosphoryl-5-methylphenyl)-3-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 155462281
3-ethyl-2-propyl-5-(trifluoromethyl)pyridine
CID 144510564
2-dimethylphosphanyl-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluoroaniline
CID 155462041
5-tert-butyl-3-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 177072478
3-butyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 165464603
propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86639056
5-ethyl-3-(trifluoromethyl)-1,6-naphthyridine
CID 70642178
5-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123585773
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
2-(1-hydroxybutan-2-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 25020428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 134232979) is 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CCc1c[nH]c2ncc(C(F)(F)F)cc12.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KVPIONGDNPIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-6-4-14-9-8(6)3-7(5-15-9)10(11,12)13/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 214.19 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134232979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).