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

C7H6ClF3N2O — CID 130089739

IUPAC[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H6ClF3N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2
InChIKeyCMCIMABMTVIFAB-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.09
Rot. Bonds2

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

[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130089739) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130089739
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cncc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H6ClF3N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2
InChIKeyCMCIMABMTVIFAB-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092090
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118818649
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130089739) is [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cncc(OC(F)(F)F)c1Cl.
What is the InChIKey of [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is CMCIMABMTVIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-6-4(1-12)2-13-3-5(6)14-7(9,10)11/h2-3H,1,12H2.
What are the key properties of [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 226.58 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).