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

C14H8F4N2 — CID 150386076

IUPAC2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C(F)(F)F)c(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C14H8F4N2/c15-9-3-4-11(14(16,17)18)10(7-9)12-6-8-2-1-5-19-13(8)20-12/h1-7H,(H,19,20)
InChIKeyHASNEQDUDPEFEW-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

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

2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 150386076) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID150386076
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(C(F)(F)F)c(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C14H8F4N2/c15-9-3-4-11(14(16,17)18)10(7-9)12-6-8-2-1-5-19-13(8)20-12/h1-7H,(H,19,20)
InChIKeyHASNEQDUDPEFEW-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine
CID 118826300
3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
CID 67082315
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 176550416
3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-4-(trifluoromethyl)benzonitrile
CID 142408793
4-[5-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123325760
N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 138583581
N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-1-methyl-1,2,4-triazole-3-carboxamide
CID 172804305
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 145385089
2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475464
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 150386076) is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(C(F)(F)F)c(-c2cc3cccnc3[nH]2)c1.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HASNEQDUDPEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-9-3-4-11(14(16,17)18)10(7-9)12-6-8-2-1-5-19-13(8)20-12/h1-7H,(H,19,20).
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 150386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).