6-chloro-3-(trifluoromethoxy)pyridin-2-amine

C6H4ClF3N2O — CID 118991079

IUPAC6-chloro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeyNVZBUGXUDFBJBD-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.22
Rot. Bonds1

About 6-chloro-3-(trifluoromethoxy)pyridin-2-amine

6-chloro-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 118991079) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID118991079
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name6-chloro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKeyNVZBUGXUDFBJBD-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.22
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

6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089776
6-amino-2-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118999095
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089749
2-chloro-3-methyl-6-(trifluoromethoxy)aniline
CID 118997180
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
CID 118804265
2-(aminomethyl)-6-chloro-3-(trifluoromethoxy)aniline
CID 119001366

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-chloro-3-(trifluoromethoxy)pyridin-2-amine (CID 118991079) is 6-chloro-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(trifluoromethoxy)pyridin-2-amine is Nc1nc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of 6-chloro-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is NVZBUGXUDFBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-4-2-1-3(5(11)12-4)13-6(8,9)10/h1-2H,(H2,11,12).
What are the key properties of 6-chloro-3-(trifluoromethoxy)pyridin-2-amine?
6-chloro-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 212.56 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118991079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).