2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane

C21H16Cl3F3N6 — CID 144848730

IUPAC2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane
SMILESC.N#Cc1cc(Cl)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H10ClF3N4.C6H2Cl2N2.CH4/c15-10-6-8(7-19)5-9(20-10)12-13(14(16,17)18)21-11-3-1-2-4-22(11)12;7-5-1-4(3-9)2-6(8)10-5;/h5-6H,1-4H2;1-2H;1H4
InChIKeySGUNSFMIKXFENF-UHFFFAOYSA-N
MW515.75 g/mol
LogP6.72
Rot. Bonds1

About 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane

2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane (PubChem CID 144848730) has the molecular formula C21H16Cl3F3N6 and a molecular weight of 515.75 g/mol. Its IUPAC name is 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane.

Molecular Properties

Compound Name2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane
PubChem CID144848730
Molecular FormulaC21H16Cl3F3N6
Molecular Weight515.75 g/mol
Exact Mass514.05
IUPAC Name2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane
SMILESC.N#Cc1cc(Cl)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H10ClF3N4.C6H2Cl2N2.CH4/c15-10-6-8(7-19)5-9(20-10)12-13(14(16,17)18)21-11-3-1-2-4-22(11)12;7-5-1-4(3-9)2-6(8)10-5;/h5-6H,1-4H2;1-2H;1H4
InChIKeySGUNSFMIKXFENF-UHFFFAOYSA-N
XLogP6.72
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.75
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane with MolForge

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Related Compounds

6-[4-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 73211886
4-{4-[2-(3-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile
CID 10432300
4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile
CID 11177641
11-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 11396606
4-{4-[2-(2-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile
CID 11418752
1-Benzyl-2-[[4-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole
CID 46225358
2-[[4-[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1-methylbenzimidazole-5-carbonitrile
CID 46225386
2-[[4-[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-6-fluoro-1-methylbenzimidazole
CID 46225407
2-[[4-[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-fluoro-1-methylbenzimidazole
CID 46225408
2-[[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 46225584
2-(4-Chlorophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 53299376
2-[[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-methylimidazo[4,5-c]pyridine
CID 91800608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane?
The IUPAC name of 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane (CID 144848730) is 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane.
What is the SMILES notation for 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane?
The canonical SMILES for 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane is C.N#Cc1cc(Cl)nc(-c2c(C(F)(F)F)nc3n2CCCC3)c1.N#Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane?
The InChIKey is SGUNSFMIKXFENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4.C6H2Cl2N2.CH4/c15-10-6-8(7-19)5-9(20-10)12-13(14(16,17)18)21-11-3-1-2-4-22(11)12;7-5-1-4(3-9)2-6(8)10-5;/h5-6H,1-4H2;1-2H;1H4.
What are the key properties of 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane?
2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane has a molecular weight of 515.75 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methane is sourced from PubChem (CID 144848730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).