N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

C13H14ClF3N2 — CID 102715947

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(NC2CC3CCC2C3)c1
InChIInChI=1S/C13H14ClF3N2/c14-11-5-9(13(15,16)17)6-12(19-11)18-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,18,19)
InChIKeyRFRLWRHUMQCYEW-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.35
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715947) has the molecular formula C13H14ClF3N2 and a molecular weight of 290.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715947
Molecular FormulaC13H14ClF3N2
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Cl)nc(NC2CC3CCC2C3)c1
InChIInChI=1S/C13H14ClF3N2/c14-11-5-9(13(15,16)17)6-12(19-11)18-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,18,19)
InChIKeyRFRLWRHUMQCYEW-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine (CID 102715947) is N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Cl)nc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RFRLWRHUMQCYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2/c14-11-5-9(13(15,16)17)6-12(19-11)18-10-4-7-1-2-8(10)3-7/h5-8,10H,1-4H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).