[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine

C14H12ClF3N2O2 — CID 67246473

IUPAC[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ncc(Cl)cc1-c1ccc(CN)cc1OC(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c1-21-13-11(5-9(15)7-20-13)10-3-2-8(6-19)4-12(10)22-14(16,17)18/h2-5,7H,6,19H2,1H3
InChIKeyUEMGJMIXXJVOPU-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.77
Rot. Bonds4

About [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine

[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 67246473) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine
PubChem CID67246473
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC Name[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1ncc(Cl)cc1-c1ccc(CN)cc1OC(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c1-21-13-11(5-9(15)7-20-13)10-3-2-8(6-19)4-12(10)22-14(16,17)18/h2-5,7H,6,19H2,1H3
InChIKeyUEMGJMIXXJVOPU-UHFFFAOYSA-N
XLogP3.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine (CID 67246473) is [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine is COc1ncc(Cl)cc1-c1ccc(CN)cc1OC(F)(F)F.
What is the InChIKey of [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is UEMGJMIXXJVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c1-21-13-11(5-9(15)7-20-13)10-3-2-8(6-19)4-12(10)22-14(16,17)18/h2-5,7H,6,19H2,1H3.
What are the key properties of [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine?
[4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 332.71 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 67246473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).