N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine

C13H13ClFN3 — CID 79728788

IUPACN-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)c1ccc(N)cc1
InChIInChI=1S/C13H13ClFN3/c1-8(9-2-4-11(16)5-3-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyMFZLSUYXWWMTLC-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.63
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine

N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine (PubChem CID 79728788) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
PubChem CID79728788
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC NameN-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)c1ccc(N)cc1
InChIInChI=1S/C13H13ClFN3/c1-8(9-2-4-11(16)5-3-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyMFZLSUYXWWMTLC-UHFFFAOYSA-N
XLogP3.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine (CID 79728788) is N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine is CC(Nc1ncc(Cl)cc1F)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is MFZLSUYXWWMTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8(9-2-4-11(16)5-3-9)18-13-12(15)6-10(14)7-17-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine?
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 265.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 79728788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).