[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine

C13H10ClF3N2O — CID 114323896

IUPAC[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10ClF3N2O/c14-10-3-1-8(6-18)11(5-10)20-12-4-2-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2
InChIKeyZNRPBPXCQRJSBE-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.00
Rot. Bonds3

About [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine

[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (PubChem CID 114323896) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
PubChem CID114323896
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H10ClF3N2O/c14-10-3-1-8(6-18)11(5-10)20-12-4-2-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2
InChIKeyZNRPBPXCQRJSBE-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (CID 114323896) is [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is NCc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The InChIKey is ZNRPBPXCQRJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-10-3-1-8(6-18)11(5-10)20-12-4-2-9(7-19-12)13(15,16)17/h1-5,7H,6,18H2.
What are the key properties of [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine has a molecular weight of 302.68 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is sourced from PubChem (CID 114323896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).