2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine

C33H11F20N3 — CID 123336608

IUPAC2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine
SMILESFc1c(F)c(F)c(CN(Cc2c(F)c(F)c(F)c(F)c2F)c2cccc(N(Cc3c(F)c(F)c(F)c(F)c3F)Cc3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C33H11F20N3/c34-14-8(15(35)23(43)30(50)22(14)42)4-55(5-9-16(36)24(44)31(51)25(45)17(9)37)12-2-1-3-13(54-12)56(6-10-18(38)26(46)32(52)27(47)19(10)39)7-11-20(40)28(48)33(53)29(49)21(11)41/h1-3H,4-7H2
InChIKeyHTFJLLBBBQQQBO-UHFFFAOYSA-N
MW829.43 g/mol
LogP10.28
Rot. Bonds10

About 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine

2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine (PubChem CID 123336608) has the molecular formula C33H11F20N3 and a molecular weight of 829.43 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine
PubChem CID123336608
Molecular FormulaC33H11F20N3
Molecular Weight829.43 g/mol
Exact Mass829.06
IUPAC Name2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine
SMILESFc1c(F)c(F)c(CN(Cc2c(F)c(F)c(F)c(F)c2F)c2cccc(N(Cc3c(F)c(F)c(F)c(F)c3F)Cc3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C33H11F20N3/c34-14-8(15(35)23(43)30(50)22(14)42)4-55(5-9-16(36)24(44)31(51)25(45)17(9)37)12-2-1-3-13(54-12)56(6-10-18(38)26(46)32(52)27(47)19(10)39)7-11-20(40)28(48)33(53)29(49)21(11)41/h1-3H,4-7H2
InChIKeyHTFJLLBBBQQQBO-UHFFFAOYSA-N
XLogP10.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.43
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine with MolForge

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Related Compounds

2N,6N-di[3-amino(imino)methylphenyl]-2N,4,6N-trimethyl-3,5-difluoro-2,6-pyridinediamine
CID 10502393
6-fluoro-N-[[4-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyridin-2-amine
CID 49857284
5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
CID 118707599
1-[4-(4-Fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
CID 162645251
1-[(2,4-Difluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 763698
1-Benzyl-4-(6-fluoropyridin-2-yl)piperazine
CID 61228967
N-benzyl-6-fluoropyridin-2-amine
CID 61229948
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
CID 23135815
N,N-dibenzylpyridin-2-amine
CID 250827
1-[4-(4-Fluorophenyl)butyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 9797464
N,N-diphenyl-5-(trifluoromethyl)pyridin-2-amine
CID 135001370
2-(Dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 135072974

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine (CID 123336608) is 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine is Fc1c(F)c(F)c(CN(Cc2c(F)c(F)c(F)c(F)c2F)c2cccc(N(Cc3c(F)c(F)c(F)c(F)c3F)Cc3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is HTFJLLBBBQQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H11F20N3/c34-14-8(15(35)23(43)30(50)22(14)42)4-55(5-9-16(36)24(44)31(51)25(45)17(9)37)12-2-1-3-13(54-12)56(6-10-18(38)26(46)32(52)27(47)19(10)39)7-11-20(40)28(48)33(53)29(49)21(11)41/h1-3H,4-7H2.
What are the key properties of 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine?
2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 829.43 g/mol, XLogP of 10.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 123336608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).