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

C14H9F3N2 — CID 151593977

IUPAC1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-n2ccc3cccnc32)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-4-1-5-12(9-11)19-8-6-10-3-2-7-18-13(10)19/h1-9H
InChIKeyQJBUFESCQSBAHO-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.04
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 151593977) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID151593977
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cccc(-n2ccc3cccnc32)c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-4-1-5-12(9-11)19-8-6-10-3-2-7-18-13(10)19/h1-9H
InChIKeyQJBUFESCQSBAHO-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
1-[2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 132595486
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
CID 53302005
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
3-indol-1-yl-1-[3-(trifluoromethyl)phenyl]indole
CID 175965802
N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
CID 44521487
1-[4-[4-methyl-6-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 126561534
[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine
CID 141271369
1-(2,5-dimethylpyrazol-3-yl)pyrrolo[2,3-b]pyridine
CID 141216183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine (CID 151593977) is 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is FC(F)(F)c1cccc(-n2ccc3cccnc32)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is QJBUFESCQSBAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-4-1-5-12(9-11)19-8-6-10-3-2-7-18-13(10)19/h1-9H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine?
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 262.23 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 151593977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).