5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine

C11H14ClFN2 — CID 79727979

IUPAC5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2/c1-4-15(7-8(2)3)11-10(13)5-9(12)6-14-11/h5-6H,2,4,7H2,1,3H3
InChIKeyPRBQYNRQZZOBOT-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.28
Rot. Bonds4

About 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine

5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine (PubChem CID 79727979) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
PubChem CID79727979
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2/c1-4-15(7-8(2)3)11-10(13)5-9(12)6-14-11/h5-6H,2,4,7H2,1,3H3
InChIKeyPRBQYNRQZZOBOT-UHFFFAOYSA-N
XLogP3.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine (CID 79727979) is 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine is C=C(C)CN(CC)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine?
The InChIKey is PRBQYNRQZZOBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-4-15(7-8(2)3)11-10(13)5-9(12)6-14-11/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine?
5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 79727979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).