6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C14H9F3N2 — CID 67173582

IUPAC6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-c2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-2-10(8-11)12-5-4-9-6-7-18-13(9)19-12/h1-8H,(H,18,19)
InChIKeyFAYLDDIJLFXJAQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.25
Rot. Bonds1

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

6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67173582) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67173582
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-c2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-2-10(8-11)12-5-4-9-6-7-18-13(9)19-12/h1-8H,(H,18,19)
InChIKeyFAYLDDIJLFXJAQ-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 59803892
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
CID 58154748
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
CID 154521414
3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134618277
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
CID 87368454
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 67173582) is 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)c1cccc(-c2ccc3cc[nH]c3n2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FAYLDDIJLFXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-2-10(8-11)12-5-4-9-6-7-18-13(9)19-12/h1-8H,(H,18,19).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 262.23 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67173582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).