2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine

C45H37Cl7F9N9 — CID 158475395

IUPAC2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Cl)c1Cl.FC(F)(F)c1cc(Cl)nc(N2CCCC2c2ccccn2)c1Cl.FC(F)(F)c1cc(N2CCCC2c2ccccn2)nc(Cl)c1Cl.c1ccc(C2CCCN2)nc1
InChIInChI=1S/2C15H12Cl2F3N3.C9H12N2.C6HCl3F3N/c16-13-9(15(18,19)20)8-12(22-14(13)17)23-7-3-5-11(23)10-4-1-2-6-21-10;16-12-8-9(15(18,19)20)13(17)14(22-12)23-7-3-5-11(23)10-4-1-2-6-21-10;1-2-6-10-8(4-1)9-5-3-7-11-9;7-3-1-2(6(10,11)12)4(8)5(9)13-3/h2*1-2,4,6,8,11H,3,5,7H2;1-2,4,6,9,11H,3,5,7H2;1H
InChIKeyHGWGDTKJWOBRNX-UHFFFAOYSA-N
MW1123.01 g/mol
LogP15.85
Rot. Bonds5

About 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine

2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine (PubChem CID 158475395) has the molecular formula C45H37Cl7F9N9 and a molecular weight of 1123.01 g/mol. Its IUPAC name is 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine
PubChem CID158475395
Molecular FormulaC45H37Cl7F9N9
Molecular Weight1123.01 g/mol
Exact Mass1119.08
IUPAC Name2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Cl)c1Cl.FC(F)(F)c1cc(Cl)nc(N2CCCC2c2ccccn2)c1Cl.FC(F)(F)c1cc(N2CCCC2c2ccccn2)nc(Cl)c1Cl.c1ccc(C2CCCN2)nc1
InChIInChI=1S/2C15H12Cl2F3N3.C9H12N2.C6HCl3F3N/c16-13-9(15(18,19)20)8-12(22-14(13)17)23-7-3-5-11(23)10-4-1-2-6-21-10;16-12-8-9(15(18,19)20)13(17)14(22-12)23-7-3-5-11(23)10-4-1-2-6-21-10;1-2-6-10-8(4-1)9-5-3-7-11-9;7-3-1-2(6(10,11)12)4(8)5(9)13-3/h2*1-2,4,6,8,11H,3,5,7H2;1-2,4,6,9,11H,3,5,7H2;1H
InChIKeyHGWGDTKJWOBRNX-UHFFFAOYSA-N
XLogP15.85
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.01
LogP ≤ 515.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

(1S,4S)-2-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 57761416
(1R,4R)-2-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 68827902
2-[6-(3-Chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 71200372
3-[2-[3-[5-[3-[5-[3-[2-Amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile
CID 91807036
2-[3,3-difluoro-5-[3-[2-piperidin-1-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]piperidin-1-yl]-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123836936
2-[2-[[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740221
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651
bis(5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine);hydrochloride
CID 157066621
2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane
CID 157401090
5-chloro-3-[[2-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 157588200
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2-chloro-4,6-dimethylpyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-methyl-6-(6-methyl-2-pyridinyl)pyridin-2-amine;tributyl-(6-methyl-2-pyridinyl)stannane
CID 157888968
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-fluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;methane
CID 157967749

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine (CID 158475395) is 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(Cl)c1Cl.FC(F)(F)c1cc(Cl)nc(N2CCCC2c2ccccn2)c1Cl.FC(F)(F)c1cc(N2CCCC2c2ccccn2)nc(Cl)c1Cl.c1ccc(C2CCCN2)nc1.
What is the InChIKey of 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine?
The InChIKey is HGWGDTKJWOBRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12Cl2F3N3.C9H12N2.C6HCl3F3N/c16-13-9(15(18,19)20)8-12(22-14(13)17)23-7-3-5-11(23)10-4-1-2-6-21-10;16-12-8-9(15(18,19)20)13(17)14(22-12)23-7-3-5-11(23)10-4-1-2-6-21-10;1-2-6-10-8(4-1)9-5-3-7-11-9;7-3-1-2(6(10,11)12)4(8)5(9)13-3/h2*1-2,4,6,8,11H,3,5,7H2;1-2,4,6,9,11H,3,5,7H2;1H.
What are the key properties of 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine?
2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine has a molecular weight of 1123.01 g/mol, XLogP of 15.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;3,6-dichloro-2-(2-pyridin-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridine;2-pyrrolidin-2-ylpyridine;2,3,6-trichloro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158475395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).