5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine

C13H18ClFN2 — CID 79727338

IUPAC5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine
SMILESCCC1CCCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN2/c1-2-9-4-3-5-11(6-9)17-13-12(15)7-10(14)8-16-13/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyAPGMAKRWKNLCRL-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.25
Rot. Bonds3

About 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine

5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine (PubChem CID 79727338) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine
PubChem CID79727338
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine
SMILESCCC1CCCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C13H18ClFN2/c1-2-9-4-3-5-11(6-9)17-13-12(15)7-10(14)8-16-13/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyAPGMAKRWKNLCRL-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.25
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-ethylcyclohexyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine (CID 79727338) is 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine is CCC1CCCC(Nc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine?
The InChIKey is APGMAKRWKNLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-2-9-4-3-5-11(6-9)17-13-12(15)7-10(14)8-16-13/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine?
5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine has a molecular weight of 256.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).