2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H9F3N4 — CID 10639803

IUPAC2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccccn1
InChIInChI=1S/C17H9F3N4/c18-17(19,20)12-9-15(13-5-1-3-7-22-13)24-16(11(12)10-21)14-6-2-4-8-23-14/h1-9H
InChIKeyMYQZMTLDTNVBOM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.10
Rot. Bonds2

About 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10639803) has the molecular formula C17H9F3N4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10639803
Molecular FormulaC17H9F3N4
Molecular Weight326.28 g/mol
Exact Mass326.08
IUPAC Name2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccccn1
InChIInChI=1S/C17H9F3N4/c18-17(19,20)12-9-15(13-5-1-3-7-22-13)24-16(11(12)10-21)14-6-2-4-8-23-14/h1-9H
InChIKeyMYQZMTLDTNVBOM-UHFFFAOYSA-N
XLogP4.10
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2,2':6',2''-Terpyridine
CID 70848
2,4'-Bipyridine
CID 68488
Anabasamine
CID 161313
Anabasamine hydrochloride
CID 438950
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11530663
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
3-(3,5-Difluoropyridin-2-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646630

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10639803) is 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccn2)nc1-c1ccccn1.
What is the InChIKey of 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MYQZMTLDTNVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4/c18-17(19,20)12-9-15(13-5-1-3-7-22-13)24-16(11(12)10-21)14-6-2-4-8-23-14/h1-9H.
What are the key properties of 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 326.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10639803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).