5-chloro-6-(difluoromethoxy)pyridin-3-amine

C6H5ClF2N2O — CID 118540061

IUPAC5-chloro-6-(difluoromethoxy)pyridin-3-amine
SMILESNc1cnc(OC(F)F)c(Cl)c1
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-3(10)2-11-5(4)12-6(8)9/h1-2,6H,10H2
InChIKeyUGSWTAHGXMVYAH-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.92
Rot. Bonds2

About 5-chloro-6-(difluoromethoxy)pyridin-3-amine

5-chloro-6-(difluoromethoxy)pyridin-3-amine (PubChem CID 118540061) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(difluoromethoxy)pyridin-3-amine
PubChem CID118540061
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name5-chloro-6-(difluoromethoxy)pyridin-3-amine
SMILESNc1cnc(OC(F)F)c(Cl)c1
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-3(10)2-11-5(4)12-6(8)9/h1-2,6H,10H2
InChIKeyUGSWTAHGXMVYAH-UHFFFAOYSA-N
XLogP1.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(difluoromethoxy)pyridin-3-amine (CID 118540061) is 5-chloro-6-(difluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(difluoromethoxy)pyridin-3-amine is Nc1cnc(OC(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The InChIKey is UGSWTAHGXMVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-4-1-3(10)2-11-5(4)12-6(8)9/h1-2,6H,10H2.
What are the key properties of 5-chloro-6-(difluoromethoxy)pyridin-3-amine?
5-chloro-6-(difluoromethoxy)pyridin-3-amine has a molecular weight of 194.57 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 118540061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).