2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

C17H4F10N2 — CID 133086452

IUPAC2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESNc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H4F10N2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-4(28)17(29-2-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H,28H2
InChIKeyGMNMWQVZJTZPKH-UHFFFAOYSA-N
MW426.21 g/mol
LogP5.39
Rot. Bonds2

About 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (PubChem CID 133086452) has the molecular formula C17H4F10N2 and a molecular weight of 426.21 g/mol. Its IUPAC name is 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
PubChem CID133086452
Molecular FormulaC17H4F10N2
Molecular Weight426.21 g/mol
Exact Mass426.02
IUPAC Name2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESNc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H4F10N2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-4(28)17(29-2-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H,28H2
InChIKeyGMNMWQVZJTZPKH-UHFFFAOYSA-N
XLogP5.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.21
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 125493633
3-iodo-5-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 133086481
5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
CID 133086498
5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
CID 170909824
2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
CID 133089918
3-hydroxy-5-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxylic acid
CID 133091355
5-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carboxylic acid
CID 133088713
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
CID 133086551
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088728
4-(6-amino-3-pyridinyl)benzene-1,2-diamine
CID 144882064
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
CID 58820640

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The IUPAC name of 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (CID 133086452) is 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.
What is the SMILES notation for 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The canonical SMILES for 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)cnc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The InChIKey is GMNMWQVZJTZPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H4F10N2/c18-7-5(8(19)12(23)15(26)11(7)22)3-1-4(28)17(29-2-3)6-9(20)13(24)16(27)14(25)10(6)21/h1-2H,28H2.
What are the key properties of 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine has a molecular weight of 426.21 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is sourced from PubChem (CID 133086452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).