5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine

C13H18ClFN2 — CID 79727237

IUPAC5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h6-9,11H,3-5H2,1-2H3,(H,16,17)
InChIKeyGRAZBWDIAPQNRG-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.11
Rot. Bonds2

About 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine

5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine (PubChem CID 79727237) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
PubChem CID79727237
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h6-9,11H,3-5H2,1-2H3,(H,16,17)
InChIKeyGRAZBWDIAPQNRG-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine (CID 79727237) is 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine is CC1CC(C)CC(Nc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine?
The InChIKey is GRAZBWDIAPQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h6-9,11H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine?
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine has a molecular weight of 256.75 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).