2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine

C7H4ClF5N2O — CID 118812417

IUPAC2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(C(F)F)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF5N2O/c8-5-4(16-7(11,12)13)3(14)2(1-15-5)6(9)10/h1,6H,(H2,14,15)
InChIKeyVDYVVLUSXIPQNW-UHFFFAOYSA-N
MW262.56 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine

2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118812417) has the molecular formula C7H4ClF5N2O and a molecular weight of 262.56 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
PubChem CID118812417
Molecular FormulaC7H4ClF5N2O
Molecular Weight262.56 g/mol
Exact Mass261.99
IUPAC Name2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(C(F)F)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H4ClF5N2O/c8-5-4(16-7(11,12)13)3(14)2(1-15-5)6(9)10/h1,6H,(H2,14,15)
InChIKeyVDYVVLUSXIPQNW-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.56
LogP ≤ 53.15
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 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine (CID 118812417) is 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine is Nc1c(C(F)F)cnc(Cl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is VDYVVLUSXIPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5N2O/c8-5-4(16-7(11,12)13)3(14)2(1-15-5)6(9)10/h1,6H,(H2,14,15).
What are the key properties of 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 262.56 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118812417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).