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

C11H4Cl3F3N2 — CID 102751000

IUPAC3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESFc1cc(F)c(Nc2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F3N2/c12-4-1-5(13)11(19-10(4)14)18-9-3-7(16)6(15)2-8(9)17/h1-3H,(H,18,19)
InChIKeyCIYDTEKCJZBUNX-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.20
Rot. Bonds2

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

3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 102751000) has the molecular formula C11H4Cl3F3N2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID102751000
Molecular FormulaC11H4Cl3F3N2
Molecular Weight327.52 g/mol
Exact Mass325.94
IUPAC Name3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESFc1cc(F)c(Nc2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F3N2/c12-4-1-5(13)11(19-10(4)14)18-9-3-7(16)6(15)2-8(9)17/h1-3H,(H,18,19)
InChIKeyCIYDTEKCJZBUNX-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.20
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'}

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
3,5,6-trichloro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 102751650
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102751203
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
(3,5,6-trichloro-2-pyridinyl)hydrazine;hydrochloride
CID 172553529
6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
CID 62810763
4-methyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]benzonitrile
CID 102750947
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine (CID 102751000) is 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine is Fc1cc(F)c(Nc2nc(Cl)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is CIYDTEKCJZBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2/c12-4-1-5(13)11(19-10(4)14)18-9-3-7(16)6(15)2-8(9)17/h1-3H,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,4,5-trifluorophenyl)pyridin-2-amine has a molecular weight of 327.52 g/mol, XLogP of 5.20, 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-(2,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 102751000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).