5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine

C6H3ClF4N2O — CID 130898162

IUPAC5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc(F)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H3ClF4N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2
InChIKeyHHQYOKUBVRIYOQ-UHFFFAOYSA-N
MW230.55 g/mol
LogP2.35
Rot. Bonds1

About 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine

5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine (PubChem CID 130898162) has the molecular formula C6H3ClF4N2O and a molecular weight of 230.55 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine
PubChem CID130898162
Molecular FormulaC6H3ClF4N2O
Molecular Weight230.55 g/mol
Exact Mass229.99
IUPAC Name5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cnc(F)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H3ClF4N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2
InChIKeyHHQYOKUBVRIYOQ-UHFFFAOYSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.55
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine (CID 130898162) is 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine is Nc1cnc(F)c(Cl)c1OC(F)(F)F.
What is the InChIKey of 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is HHQYOKUBVRIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF4N2O/c7-3-4(14-6(9,10)11)2(12)1-13-5(3)8/h1H,12H2.
What are the key properties of 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine?
5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 230.55 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-4-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 130898162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).