[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5Cl2F3N2O — CID 130093865

IUPAC[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-1-3(2-13)14-6(9)5(4)15-7(10,11)12/h1H,2,13H2
InChIKeyQVQUVWKNCOXCTL-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.75
Rot. Bonds2

About [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine

[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 130093865) has the molecular formula C7H5Cl2F3N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID130093865
Molecular FormulaC7H5Cl2F3N2O
Molecular Weight261.03 g/mol
Exact Mass259.97
IUPAC Name[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(Cl)c(OC(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-1-3(2-13)14-6(9)5(4)15-7(10,11)12/h1H,2,13H2
InChIKeyQVQUVWKNCOXCTL-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.75
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

4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
CID 130093745
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
4-chloro-6-fluoro-5-(trifluoromethoxy)pyridin-2-amine
CID 131190696
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 131029007
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
[5,6-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094281
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331

Frequently Asked Questions

What is the IUPAC name of [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 130093865) is [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1cc(Cl)c(OC(F)(F)F)c(Cl)n1.
What is the InChIKey of [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is QVQUVWKNCOXCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O/c8-4-1-3(2-13)14-6(9)5(4)15-7(10,11)12/h1H,2,13H2.
What are the key properties of [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 261.03 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 130093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).