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

C15H8F3N3 — CID 138496672

IUPAC3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2[nH]cc(-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-10(13)12-8-21-14-11(12)5-9(6-19)7-20-14/h1-5,7-8H,(H,20,21)
InChIKeyQCZJHKFCEJOQAX-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.12
Rot. Bonds1

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

3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 138496672) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID138496672
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2[nH]cc(-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-10(13)12-8-21-14-11(12)5-9(6-19)7-20-14/h1-5,7-8H,(H,20,21)
InChIKeyQCZJHKFCEJOQAX-UHFFFAOYSA-N
XLogP4.12
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile
CID 138496652
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
3-[(2,6-difluorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 141279866
6-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
CID 58774788
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
CID 138496787
6-bromo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 73425180
3-[[6-[[2-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66970953
3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 11709168
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 138496672) is 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2[nH]cc(-c3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is QCZJHKFCEJOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-10(13)12-8-21-14-11(12)5-9(6-19)7-20-14/h1-5,7-8H,(H,20,21).
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 287.24 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 138496672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).