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'}

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Related Compounds

3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9216990
3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60507202
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4999008
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
2-N-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627099
N-[(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841727
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 32703213
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
CID 135778423
2,3,4,5,6-pentafluoro-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 9466478

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).