N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C13H11Cl2FN2O — CID 118014619

IUPACN-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](ONc1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-8(19-18-11-4-2-3-7-17-11)12-9(14)5-6-10(16)13(12)15/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyVKQZCVKOTVHJDL-MRVPVSSYSA-N
MW301.15 g/mol
LogP4.63
Rot. Bonds4

About N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 118014619) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
PubChem CID118014619
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC NameN-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESC[C@@H](ONc1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-8(19-18-11-4-2-3-7-17-11)12-9(14)5-6-10(16)13(12)15/h2-8H,1H3,(H,17,18)/t8-/m1/s1
InChIKeyVKQZCVKOTVHJDL-MRVPVSSYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 118014619) is N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is C[C@@H](ONc1ccccn1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is VKQZCVKOTVHJDL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-8(19-18-11-4-2-3-7-17-11)12-9(14)5-6-10(16)13(12)15/h2-8H,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 301.15 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 118014619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).