2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine

C13H10ClF3N2O — CID 162539383

IUPAC2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCOc1ccc(Nc2cc(C(F)(F)F)cnc2Cl)cc1
InChIInChI=1S/C13H10ClF3N2O/c1-20-10-4-2-9(3-5-10)19-11-6-8(13(15,16)17)7-18-12(11)14/h2-7,19H,1H3
InChIKeyCBXHSFSMHZAHOS-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.51
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine

2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 162539383) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID162539383
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCOc1ccc(Nc2cc(C(F)(F)F)cnc2Cl)cc1
InChIInChI=1S/C13H10ClF3N2O/c1-20-10-4-2-9(3-5-10)19-11-6-8(13(15,16)17)7-18-12(11)14/h2-7,19H,1H3
InChIKeyCBXHSFSMHZAHOS-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-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 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine (CID 162539383) is 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine is COc1ccc(Nc2cc(C(F)(F)F)cnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is CBXHSFSMHZAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-20-10-4-2-9(3-5-10)19-11-6-8(13(15,16)17)7-18-12(11)14/h2-7,19H,1H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine?
2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.68 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 162539383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).