5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine

C14H10Cl2F3N3 — CID 2739912

IUPAC5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(N=Cc1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10Cl2F3N3/c1-22(21-7-9-4-2-3-5-12(9)16)13-11(14(17,18)19)6-10(15)8-20-13/h2-8H,1H3
InChIKeyYCLLLNVPCHMXIH-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.88
Rot. Bonds3

About 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine

5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 2739912) has the molecular formula C14H10Cl2F3N3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID2739912
Molecular FormulaC14H10Cl2F3N3
Molecular Weight348.16 g/mol
Exact Mass347.02
IUPAC Name5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(N=Cc1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10Cl2F3N3/c1-22(21-7-9-4-2-3-5-12(9)16)13-11(14(17,18)19)6-10(15)8-20-13/h2-8H,1H3
InChIKeyYCLLLNVPCHMXIH-UHFFFAOYSA-N
XLogP4.88
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (CID 2739912) is 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is CN(N=Cc1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YCLLLNVPCHMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3/c1-22(21-7-9-4-2-3-5-12(9)16)13-11(14(17,18)19)6-10(15)8-20-13/h2-8H,1H3.
What are the key properties of 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 348.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chlorophenyl)methylideneamino]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2739912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).