3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C13H15Cl2F3N2 — CID 106126082

IUPAC3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCC(Cl)CC2)c(Cl)c1
InChIInChI=1S/C13H15Cl2F3N2/c14-10-3-1-8(2-4-10)6-19-12-11(15)5-9(7-20-12)13(16,17)18/h5,7-8,10H,1-4,6H2,(H,19,20)
InChIKeyKAASDPITNIJEQC-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.96
Rot. Bonds3

About 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 106126082) has the molecular formula C13H15Cl2F3N2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID106126082
Molecular FormulaC13H15Cl2F3N2
Molecular Weight327.18 g/mol
Exact Mass326.06
IUPAC Name3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCC(Cl)CC2)c(Cl)c1
InChIInChI=1S/C13H15Cl2F3N2/c14-10-3-1-8(2-4-10)6-19-12-11(15)5-9(7-20-12)13(16,17)18/h5,7-8,10H,1-4,6H2,(H,19,20)
InChIKeyKAASDPITNIJEQC-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 106126082) is 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCC2CCC(Cl)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KAASDPITNIJEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2F3N2/c14-10-3-1-8(2-4-10)6-19-12-11(15)5-9(7-20-12)13(16,17)18/h5,7-8,10H,1-4,6H2,(H,19,20).
What are the key properties of 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 327.18 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorocyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106126082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).