1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine

C14H10F3N3 — CID 66907796

IUPAC1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-7-11-3-6-20(13(11)19-8-12)9-10-1-4-18-5-2-10/h1-8H,9H2
InChIKeyRIWYIJPXFZHVIY-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.50
Rot. Bonds2

About 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine

1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine (PubChem CID 66907796) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
PubChem CID66907796
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(ccn2Cc2ccncc2)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-7-11-3-6-20(13(11)19-8-12)9-10-1-4-18-5-2-10/h1-8H,9H2
InChIKeyRIWYIJPXFZHVIY-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propanoic acid;1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
CID 66907795
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 156503188
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-amine
CID 176884665
5-[(5-chloropyrrolo[2,3-b]pyridin-1-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 150061155
1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]indole
CID 71762495
tri(propan-2-yl)-[5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 46318196
N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]prop-2-enamide
CID 169173159
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
N-hydroxy-4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584731
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine (CID 66907796) is 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine is FC(F)(F)c1cnc2c(ccn2Cc2ccncc2)c1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is RIWYIJPXFZHVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)12-7-11-3-6-20(13(11)19-8-12)9-10-1-4-18-5-2-10/h1-8H,9H2.
What are the key properties of 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine?
1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 277.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66907796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).