3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine

C12H7Cl3FN3 — CID 4000923

IUPAC3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1cccc(C=NNc2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H7Cl3FN3/c13-9-5-10(14)12(18-11(9)15)19-17-6-7-2-1-3-8(16)4-7/h1-6H,(H,18,19)
InChIKeyDOXCJLSHIUXVFT-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.63
Rot. Bonds3

About 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine

3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine (PubChem CID 4000923) has the molecular formula C12H7Cl3FN3 and a molecular weight of 318.57 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine
PubChem CID4000923
Molecular FormulaC12H7Cl3FN3
Molecular Weight318.57 g/mol
Exact Mass316.97
IUPAC Name3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1cccc(C=NNc2nc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H7Cl3FN3/c13-9-5-10(14)12(18-11(9)15)19-17-6-7-2-1-3-8(16)4-7/h1-6H,(H,18,19)
InChIKeyDOXCJLSHIUXVFT-UHFFFAOYSA-N
XLogP4.63
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580522
4-Chlorobenzaldehyde 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 9580524
N-[(2-chlorophenyl)methylideneamino]pyridin-2-amine
CID 263855
4-Chlorobenzaldehyde pyridin-2-ylhydrazone
CID 9657237
6-[(2E)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile
CID 5331860
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
CID 9612911
5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 2739912
5-chloro-N-[(4-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 2739914
N-[(Z)-benzylideneamino]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 5703224
2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-5-(trifluoromethyl)pyridine
CID 5334939
2-Pyridinamine, 3,4,5,6-tetrachloro-N-(phenylmethylene)-
CID 186819
4-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]pyridin-2-amine
CID 49871626

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine (CID 4000923) is 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine is Fc1cccc(C=NNc2nc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is DOXCJLSHIUXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FN3/c13-9-5-10(14)12(18-11(9)15)19-17-6-7-2-1-3-8(16)4-7/h1-6H,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 318.57 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 4000923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).