3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine

C14H10ClF3N2O — CID 62065042

IUPAC3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2COc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2O/c15-10-5-8(14(16,17)18)6-19-13(10)20-11-7-21-12-4-2-1-3-9(11)12/h1-6,11H,7H2,(H,19,20)
InChIKeyZVQZIEMXOQNVGU-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.30
Rot. Bonds2

About 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 62065042) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID62065042
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2COc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H10ClF3N2O/c15-10-5-8(14(16,17)18)6-19-13(10)20-11-7-21-12-4-2-1-3-9(11)12/h1-6,11H,7H2,(H,19,20)
InChIKeyZVQZIEMXOQNVGU-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 62065042) is 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC2COc3ccccc32)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZVQZIEMXOQNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-10-5-8(14(16,17)18)6-19-13(10)20-11-7-21-12-4-2-1-3-9(11)12/h1-6,11H,7H2,(H,19,20).
What are the key properties of 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.69 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).