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

C7H6ClF3N2O — CID 130089748

IUPAC[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-6-1-5(14-7(9,10)11)4(2-12)3-13-6/h1,3H,2,12H2
InChIKeyLXUIYPFYJSKCSK-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.09
Rot. Bonds2

About [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine

[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130089748) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130089748
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-6-1-5(14-7(9,10)11)4(2-12)3-13-6/h1,3H,2,12H2
InChIKeyLXUIYPFYJSKCSK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
[4-chloro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089739
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092090
(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
CID 155978043
(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
CID 118607245

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130089748) is [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cnc(Cl)cc1OC(F)(F)F.
What is the InChIKey of [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is LXUIYPFYJSKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-6-1-5(14-7(9,10)11)4(2-12)3-13-6/h1,3H,2,12H2.
What are the key properties of [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine?
[6-chloro-4-(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 [6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).