2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine

C13H11Cl2FN2 — CID 83069299

IUPAC2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11Cl2FN2/c1-8(9-4-5-10(14)11(16)7-9)18-12-3-2-6-17-13(12)15/h2-8,18H,1H3
InChIKeyVUPVVVNSBFLZGI-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.70
Rot. Bonds3

About 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine

2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine (PubChem CID 83069299) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
PubChem CID83069299
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H11Cl2FN2/c1-8(9-4-5-10(14)11(16)7-9)18-12-3-2-6-17-13(12)15/h2-8,18H,1H3
InChIKeyVUPVVVNSBFLZGI-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine (CID 83069299) is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine is CC(Nc1cccnc1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine?
The InChIKey is VUPVVVNSBFLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-8(9-4-5-10(14)11(16)7-9)18-12-3-2-6-17-13(12)15/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine?
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine has a molecular weight of 285.15 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83069299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).