[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine

C13H10ClF3N2O2 — CID 107056201

IUPAC[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c14-11-8(7-18)5-6-19-12(11)20-9-1-3-10(4-2-9)21-13(15,16)17/h1-6H,7,18H2
InChIKeyXMCIGGDBIVHYAK-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.88
Rot. Bonds4

About [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine

[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine (PubChem CID 107056201) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
PubChem CID107056201
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Name[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c14-11-8(7-18)5-6-19-12(11)20-9-1-3-10(4-2-9)21-13(15,16)17/h1-6H,7,18H2
InChIKeyXMCIGGDBIVHYAK-UHFFFAOYSA-N
XLogP3.88
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine (CID 107056201) is [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine is NCc1ccnc(Oc2ccc(OC(F)(F)F)cc2)c1Cl.
What is the InChIKey of [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The InChIKey is XMCIGGDBIVHYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c14-11-8(7-18)5-6-19-12(11)20-9-1-3-10(4-2-9)21-13(15,16)17/h1-6H,7,18H2.
What are the key properties of [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine has a molecular weight of 318.68 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 107056201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).