6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C14H12ClF3N2O — CID 86657407

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C14H12ClF3N2O/c1-21-11-4-2-9(3-5-11)8-19-13-7-10(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRVINWEKGLMGLDJ-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.37
Rot. Bonds4

About 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 86657407) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID86657407
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C14H12ClF3N2O/c1-21-11-4-2-9(3-5-11)8-19-13-7-10(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRVINWEKGLMGLDJ-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)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 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 86657407) is 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is COc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RVINWEKGLMGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-21-11-4-2-9(3-5-11)8-19-13-7-10(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 316.71 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86657407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).