2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline

C18H10Cl3F3N4 — CID 2768805

IUPAC2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline
SMILESFC(F)(F)c1cnc(C(=NNc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1
InChIInChI=1S/C18H10Cl3F3N4/c19-12-3-4-15(13(20)7-12)27-28-16(10-2-1-5-25-8-10)17-14(21)6-11(9-26-17)18(22,23)24/h1-9,27H
InChIKeySWDOARVFIHAZIE-UHFFFAOYSA-N
MW445.66 g/mol
LogP6.32
Rot. Bonds4

About 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline

2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline (PubChem CID 2768805) has the molecular formula C18H10Cl3F3N4 and a molecular weight of 445.66 g/mol. Its IUPAC name is 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline
PubChem CID2768805
Molecular FormulaC18H10Cl3F3N4
Molecular Weight445.66 g/mol
Exact Mass443.99
IUPAC Name2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline
SMILESFC(F)(F)c1cnc(C(=NNc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1
InChIInChI=1S/C18H10Cl3F3N4/c19-12-3-4-15(13(20)7-12)27-28-16(10-2-1-5-25-8-10)17-14(21)6-11(9-26-17)18(22,23)24/h1-9,27H
InChIKeySWDOARVFIHAZIE-UHFFFAOYSA-N
XLogP6.32
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.66
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate
CID 3839688
6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine
CID 6415793
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 3743948
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
CID 85434851
2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
CID 1486861
3-chloro-N-[4-chloro-2-[[(2-methylphenyl)methylideneamino]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 175305750
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
methyl 3-(4-chloro-2-fluoroanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
CID 3850728
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 79786692
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
CID 1483166
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline?
The IUPAC name of 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline (CID 2768805) is 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline.
What is the SMILES notation for 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline?
The canonical SMILES for 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline is FC(F)(F)c1cnc(C(=NNc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline?
The InChIKey is SWDOARVFIHAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F3N4/c19-12-3-4-15(13(20)7-12)27-28-16(10-2-1-5-25-8-10)17-14(21)6-11(9-26-17)18(22,23)24/h1-9,27H.
What are the key properties of 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline?
2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline has a molecular weight of 445.66 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline is sourced from PubChem (CID 2768805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).