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

C11H2Cl3F5N2 — CID 102751650

IUPAC3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESFc1c(F)c(F)c(Nc2nc(Cl)c(Cl)cc2Cl)c(F)c1F
InChIInChI=1S/C11H2Cl3F5N2/c12-2-1-3(13)11(21-10(2)14)20-9-7(18)5(16)4(15)6(17)8(9)19/h1H,(H,20,21)
InChIKeyLVOAHXNPHAJTGR-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.48
Rot. Bonds2

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

3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (PubChem CID 102751650) has the molecular formula C11H2Cl3F5N2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
PubChem CID102751650
Molecular FormulaC11H2Cl3F5N2
Molecular Weight363.50 g/mol
Exact Mass361.92
IUPAC Name3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESFc1c(F)c(F)c(Nc2nc(Cl)c(Cl)cc2Cl)c(F)c1F
InChIInChI=1S/C11H2Cl3F5N2/c12-2-1-3(13)11(21-10(2)14)20-9-7(18)5(16)4(15)6(17)8(9)19/h1H,(H,20,21)
InChIKeyLVOAHXNPHAJTGR-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
(3,5,6-trichloro-2-pyridinyl)hydrazine;hydrochloride
CID 172553529
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
3,5-dichloro-N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762509
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102758802
3,5-dichloro-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 102762228
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
CID 102750053

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (CID 102751650) is 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is Fc1c(F)c(F)c(Nc2nc(Cl)c(Cl)cc2Cl)c(F)c1F.
What is the InChIKey of 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The InChIKey is LVOAHXNPHAJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2Cl3F5N2/c12-2-1-3(13)11(21-10(2)14)20-9-7(18)5(16)4(15)6(17)8(9)19/h1H,(H,20,21).
What are the key properties of 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine has a molecular weight of 363.50 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is sourced from PubChem (CID 102751650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).