3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine

C16H15ClF3N3O3 — CID 6143287

IUPAC3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC
InChIInChI=1S/C16H15ClF3N3O3/c1-24-12-5-4-9(13(25-2)14(12)26-3)7-22-23-15-11(17)6-10(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-7-
InChIKeyNFDFOGXGKSCYTI-HOEBFWFUSA-N
MW389.76 g/mol
LogP4.23
Rot. Bonds6

About 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine

3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 6143287) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID6143287
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Name3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1ccc(/C=N\Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC
InChIInChI=1S/C16H15ClF3N3O3/c1-24-12-5-4-9(13(25-2)14(12)26-3)7-22-23-15-11(17)6-10(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-7-
InChIKeyNFDFOGXGKSCYTI-HOEBFWFUSA-N
XLogP4.23
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 6143287) is 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1ccc(/C=N\Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is NFDFOGXGKSCYTI-HOEBFWFUSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c1-24-12-5-4-9(13(25-2)14(12)26-3)7-22-23-15-11(17)6-10(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-7-.
What are the key properties of 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine?
3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 389.76 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 6143287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).