[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H10ClF3N2O — CID 79869812

IUPAC[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H10ClF3N2O/c14-9-2-1-3-10(6-9)20-12-8(7-18)4-5-11(19-12)13(15,16)17/h1-6H,7,18H2
InChIKeyTVYATLMPXMTHRX-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.00
Rot. Bonds3

About [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79869812) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79869812
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H10ClF3N2O/c14-9-2-1-3-10(6-9)20-12-8(7-18)4-5-11(19-12)13(15,16)17/h1-6H,7,18H2
InChIKeyTVYATLMPXMTHRX-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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Related Compounds

[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874288
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 107283221
[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
[2-(3-ethoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 62337446
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
[2-(furan-2-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869669
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
[2-(4-chlorophenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876875

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79869812) is [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1Oc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is TVYATLMPXMTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-9-2-1-3-10(6-9)20-12-8(7-18)4-5-11(19-12)13(15,16)17/h1-6H,7,18H2.
What are the key properties of [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]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 [2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).