6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine

C17H12F3N5 — CID 175930741

IUPAC6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(N2C=CC=C(c3cnc4n[nH]nc4c3)C2)cc1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)13-3-5-14(6-4-13)25-7-1-2-11(10-25)12-8-15-16(21-9-12)23-24-22-15/h1-9H,10H2,(H,21,22,23,24)
InChIKeyGQQQSUIDYCEEDH-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.79
Rot. Bonds2

About 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine

6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine (PubChem CID 175930741) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
PubChem CID175930741
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(N2C=CC=C(c3cnc4n[nH]nc4c3)C2)cc1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)13-3-5-14(6-4-13)25-7-1-2-11(10-25)12-8-15-16(21-9-12)23-24-22-15/h1-9H,10H2,(H,21,22,23,24)
InChIKeyGQQQSUIDYCEEDH-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine
CID 169107986
3-[4-(trifluoromethyl)phenyl]-4H-quinolizine
CID 135062793
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
1-(4-fluorophenyl)-8-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-1,7-naphthyridine
CID 68900487
9-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyclopenta-1,3-dien-1-yl-3-pyridinyl]-3,6-bis(trifluoromethyl)carbazole
CID 142452358
[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 37092246
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
2-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091895
5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 151151605
2-[4-(trifluoromethyl)phenyl]-1,5-dihydropyrazole
CID 19896882
2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanol
CID 117230397
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine (CID 175930741) is 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine is FC(F)(F)c1ccc(N2C=CC=C(c3cnc4n[nH]nc4c3)C2)cc1.
What is the InChIKey of 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine?
The InChIKey is GQQQSUIDYCEEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)13-3-5-14(6-4-13)25-7-1-2-11(10-25)12-8-15-16(21-9-12)23-24-22-15/h1-9H,10H2,(H,21,22,23,24).
What are the key properties of 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine?
6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine has a molecular weight of 343.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 175930741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).