5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine

C13H17Cl2FN2 — CID 79734463

IUPAC5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CCCl)C1CCCCC1
InChIInChI=1S/C13H17Cl2FN2/c14-6-7-18(11-4-2-1-3-5-11)13-12(16)8-10(15)9-17-13/h8-9,11H,1-7H2
InChIKeyZQNUMNJFPZUMPH-UHFFFAOYSA-N
MW291.20 g/mol
LogP4.25
Rot. Bonds4

About 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine

5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine (PubChem CID 79734463) has the molecular formula C13H17Cl2FN2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
PubChem CID79734463
Molecular FormulaC13H17Cl2FN2
Molecular Weight291.20 g/mol
Exact Mass290.08
IUPAC Name5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1N(CCCl)C1CCCCC1
InChIInChI=1S/C13H17Cl2FN2/c14-6-7-18(11-4-2-1-3-5-11)13-12(16)8-10(15)9-17-13/h8-9,11H,1-7H2
InChIKeyZQNUMNJFPZUMPH-UHFFFAOYSA-N
XLogP4.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
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 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine (CID 79734463) is 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1N(CCCl)C1CCCCC1.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine?
The InChIKey is ZQNUMNJFPZUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2/c14-6-7-18(11-4-2-1-3-5-11)13-12(16)8-10(15)9-17-13/h8-9,11H,1-7H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine?
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine has a molecular weight of 291.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 79734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).