3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C16H15ClF3N3O2 — CID 9217023

IUPAC3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2ncc(C(F)(F)F)cc2Cl)cc1OC
InChIInChI=1S/C16H15ClF3N3O2/c1-9(10-4-5-13(24-2)14(6-10)25-3)22-23-15-12(17)7-11(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-9-
InChIKeyXQXHSKNLVVOTEB-AFPJDJCSSA-N
MW373.76 g/mol
LogP4.61
Rot. Bonds5

About 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 9217023) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID9217023
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2ncc(C(F)(F)F)cc2Cl)cc1OC
InChIInChI=1S/C16H15ClF3N3O2/c1-9(10-4-5-13(24-2)14(6-10)25-3)22-23-15-12(17)7-11(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-9-
InChIKeyXQXHSKNLVVOTEB-AFPJDJCSSA-N
XLogP4.61
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-chloro-N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6163520
3-chloro-N-[1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4104220
3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4999008
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
CID 166452044
3,5-dichloro-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]pyridin-2-amine
CID 9463611
3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60507202
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 5035855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 9217023) is 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is COc1ccc(/C(C)=N\Nc2ncc(C(F)(F)F)cc2Cl)cc1OC.
What is the InChIKey of 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XQXHSKNLVVOTEB-AFPJDJCSSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-9(10-4-5-13(24-2)14(6-10)25-3)22-23-15-12(17)7-11(8-21-15)16(18,19)20/h4-8H,1-3H3,(H,21,23)/b22-9-.
What are the key properties of 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 373.76 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 9217023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).